SCHEMBL3813999

SCHEMBL3813999

NC1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ AR P10275 3/20 0.68
▸ TP53 P04637 2/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ ALOX15 P16050 1/20 0.68
▸ RAB9A P51151 9/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ NPC1 O15118 7/20 0.63
▸ MAPT P10636 5/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ CYP1A2 P05177 4/20 0.57
▸ CYP2C9 P11712 4/20 0.57
▸ CYP2C19 P33261 4/20 0.57
▸ HPGD P15428 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.53

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
SCHEMBL18674670 0.86 AR (0.84) SMN1; SMN2ARTP53HSD17B10ALOX15
SCHEMBL7203008 0.86 SMN1; SMN2 (0.67) SMN1; SMN2ARRAB9AL3MBTL1NPC1
SCHEMBL2555926 0.86 SMN1; SMN2 (0.71) SMN1; SMN2ARTP53HSD17B10ALOX15
SCHEMBL18674598 0.85 SMN1; SMN2 (0.68) SMN1; SMN2ARTP53HSD17B10ALOX15
SCHEMBL18674660 0.84 MAPT (0.77) SMN1; SMN2ARTP53HSD17B10ALOX15
SCHEMBL18674671 0.83 AR (0.97) SMN1; SMN2ARTP53HSD17B10ALOX15
SCHEMBL3816958 0.82 RAB9A (0.73) SMN1; SMN2ARTP53ALOX15RAB9A
SCHEMBL12291571 0.82 SMN1; SMN2 (0.78) SMN1; SMN2RAB9AL3MBTL1NPC1MEN1
SCHEMBL18674667 0.82 SMN1; SMN2 (0.63) SMN1; SMN2ARTP53HSD17B10ALOX15
SCHEMBL17266249 0.81 SMN1; SMN2 (1.00) SMN1; SMN2ARTP53HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912595-B Compound containing thiazole or thiadiazole structure and application thereof 中国药科大学 2024-03-15 — — CN disclosed
WO-2023061051-A1 SULFAMIDE USP8 INHIBITOR AND USE THEREOF 中国药科大学 2023-04-20 — — WO disclosed
CN-113912595-A Compound containing thiazole or thiadiazole structure and application thereof 中国药科大学 2022-01-11 — — CN disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 — — US disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 — — US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 — — US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 — — US disclosed
EP-1296974-B1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2009-08-05 — — EP disclosed
EP-1296974-A2 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2003-04-02 — — EP disclosed
US-20020193390-A1 Pharmaceutical compositions containing an N-(substituted glycyl)-2- cyanopyrrolidine and at least one other antidiabetic agent and their use in inhibiting dipeptidyl peptidase-IV VILLHAUER EDWIN BERNARD (US) 2002-12-19 — — US disclosed
US-6432969-B1 NON-INSULIN DEPENDENT DIABETES, OBESITY, ARTHRITIS, AND OSTEOPOROSIS TREATMENT NOVARTIS AG (CH) 2002-08-13 — — US disclosed
WO-2001096295-A2 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2001-12-20 — — WO 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 (2 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-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER KRT18, F12, CBR3 SMN1; SMN2 4516/4885AR 562/4885TP53 1902/4885
US-20020193390-A1 Pharmaceutical compositions containing an N-(substituted glycyl)-2- cyanopyrrolidine and at least one other antidiabetic agent and their use in inhibiting dipeptidyl peptidase-IV DPP4, DPP9, DPP7 SMN1; SMN2 2692/4885AR 2919/4885TP53 4616/4885

“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.

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