Sugi Predict

Sugi Predict / Compounds / SCHEMBL746308

SCHEMBL746308

SCHEMBL746308

CCC(C)Oc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MAPT P10636 4/20 0.40
▸ ACACB O00763 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NR4A1 P22736 1/20 0.36

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
SCHEMBL6371042 1.00 TDP1 (0.50) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL122883 0.89 ACACB (0.45) MAPTACACBMCHR1POLBHDAC1
SCHEMBL10188239 0.83 TDP1 (0.48) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL9856089 0.83 ACACB (0.40) MAPTACACBMCHR1HDAC1HDAC2
SCHEMBL19286562 0.83 TDP1 (0.47) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL12874848 0.83 KMT2A (0.42) TSHRALDH1A1MAPTACACBNPC1
SCHEMBL13657979 0.83 KMT2A (0.42) TSHRALDH1A1MAPTACACBNPC1
SCHEMBL12521736 0.82 ALDH1A3 (0.48) ALDH1A1MAPTACACBMCHR1POLB
SCHEMBL20367612 0.81 TDP1 (0.43) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL2227634 0.81 TDP1 (0.46) TDP1TSHRMAPK1ALDH1A1CYP3A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760775-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. 2023-09-19 — — US disclosed
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2021-02-11 — — US disclosed
US-10711032-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. (US) 2020-07-14 — — US disclosed
WO-2018136634-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY (US) 2018-07-26 — — WO disclosed
US-20180155389-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2018-06-07 — — US disclosed
EP-2792667-B1 DIPHENYLAMINE COMPOUND AND METHOD FOR PRODUCING SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-02-07 — — EP disclosed
US-9550724-B2 Diphenylamine compounds and production method thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-01-24 — — US disclosed
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 — — EP disclosed
US-20140336415-A1 DIPHENYLAMINE COMPOUNDS AND PRODUCTION METHOD THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-11-13 — — US disclosed
EP-2792667-A1 DIPHENYLAMINE COMPOUND AND METHOD FOR PRODUCING SAME Ihara Chemical Industry Co., Ltd. (JP) 2014-10-22 — — EP disclosed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 — — EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 — — US disclosed
WO-2012074437-A2 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ, ЛЛС (US) 2012-06-07 — — WO disclosed
CN-102421777-A Azacyclospiro derivatives as HSL inhibitors HOFFMANN LA ROCHE 2012-04-18 — — CN disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 — — EP disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 — — WO disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 — — WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 — — US disclosed
US-4039690-A CONTROL OF NITROSAMINE FORMATION IN NITRITE CURED MEAT BY USE OF AROMATIC PRIMARY AMINES CANADA PACKERS LIMITED (CA) 1977-08-02 — — US disclosed
US-3978091-A FUNGICIDES, INSECTICIDES, NEMATOCIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-08-31 — — US 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 (6 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-20140336415-A1 DIPHENYLAMINE COMPOUNDS AND PRODUCTION METHOD THEREOF DDT, PAH, DDC TDP1 1985/4885TSHR 1952/4885MAPK1 1057/4885
US-20180155389-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 TDP1 4502/4885TSHR 761/4885MAPK1 3841/4885
US-10711032-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 TDP1 4502/4885TSHR 761/4885MAPK1 3841/4885
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 TDP1 4455/4885TSHR 809/4885MAPK1 3802/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL TDP1 1520/4885TSHR 1363/4885MAPK1 2258/4885
US-11760775-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 TDP1 4455/4885TSHR 809/4885MAPK1 3802/4885

“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.