SCHEMBL4135335

SCHEMBL4135335

CC(C)=CC(=O)Nc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ TSHR P16473 1/20 1.00
▸ NFKB1 P19838 1/20 1.00
▸ NFKB2 Q00653 1/20 1.00
▸ RELA Q04206 1/20 1.00
▸ GAA P10253 1/20 0.68
▸ HTT P42858 1/20 0.68
▸ F13A1 P00488 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ TGM2 P21980 1/20 0.61
▸ TGM1 P22735 1/20 0.61
▸ TGM3 Q08188 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ EPHX1 P07099 1/20 0.51
▸ TP53 P04637 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20284039 0.82 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL3713301 0.82 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL11759969 0.81 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL5645657 0.81 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL2998577 0.81 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL17675351 0.81 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL396577 0.80 SMN1; SMN2 (0.67) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL7679084 0.80 SMN1; SMN2 (0.67) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL15708362 0.79 LMNA (0.70) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL15708365 0.79 LMNA (0.70) NPC1RAB9ASMN1; SMN2TSHRNFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2024-05-28 — — US disclosed
US-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-06-03 — — US disclosed
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-03-16 — — US disclosed
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-02-27 — — US disclosed
US-20090197878-A1 SUBSTITUTED BENZO[d][1,3]OXAZIN-2(4H)-ONES AND RELATED DERIVATIVES AND THEIR USES FOR MODULATING THE PROGESTERONE RECEPTOR WYETH (US) 2009-08-06 — — US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 — — US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 — — US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 — — US disclosed
EP-1704139-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS Allergan, Inc. (US) 2006-09-27 — — EP disclosed
WO-2005066116-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RARϜ RETINOID RECEPTORS ALLERGAN, INC. (US) 2005-07-21 — — WO disclosed
US-5399561-A Used for treating skin disorders in mammals ALLERGAN, INC. (US) 1995-03-21 — — US disclosed
US-5380877-A Psoriasis treatment; retinoic acid-like activity ALLERGAN, INC. (US) 1995-01-10 — — US disclosed
US-5354752-A A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis ALLERGAN, INC. (US) 1994-10-11 — — US disclosed
US-5348972-A In treatment of skin disorders such as acne and psoriasis ALLERGAN, INC. (US) 1994-09-20 — — US disclosed
US-5248777-A Inhibitors of ornithine decarboxylase ALLERGAN, INC. (US) 1993-09-28 — — US disclosed
US-5234926-A Skin disorders ALLERGAN, INC. (US) 1993-08-10 — — US disclosed
US-5089509-A Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC. (US) 1992-02-18 — — US disclosed
US-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 — — US disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 — — US disclosed
EP-0419132-A2 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN, INC. (US) 1991-03-27 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT NPC1 4079/4885RAB9A 4375/4885SMN1; SMN2 4480/4885
US-20090197878-A1 SUBSTITUTED BENZO[d][1,3]OXAZIN-2(4H)-ONES AND RELATED DERIVATIVES AND THEIR USES FOR MODULATING THE PROGESTERONE RECEPTOR GNRHR, GPER1, FSHR NPC1 4588/4885RAB9A 2744/4885SMN1; SMN2 2789/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT NPC1 4079/4885RAB9A 4375/4885SMN1; SMN2 4480/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 NPC1 4077/4885RAB9A 4482/4885SMN1; SMN2 4516/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT NPC1 4079/4885RAB9A 4375/4885SMN1; SMN2 4480/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback