SCHEMBL619829

SCHEMBL619829

Nc1csc2cnccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AXL P30530 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
MAP3K7 O43318 9/20 0.40
TAB1 Q15750 9/20 0.40
IMPDH2 P12268 3/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL30098534 1.00 CYP2A6 (0.43) CYP2A6LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4695073 0.88 MAP3K7 (0.42) CYP2A6LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1006461 0.83 CYP2A6 (0.56) CYP2A6LMNACYP1A2CYP3A4CYP2D6
SCHEMBL31167180 0.83 CYP2A6 (0.56) CYP2A6LMNACYP1A2CYP3A4CYP2D6
SCHEMBL12636082 0.77 CYP2A6 (0.41) CYP2A6MAP3K7TAB1GAAKDM4E
SCHEMBL658960 0.77 AXL (0.42) CYP2A6AXLMAP3K7TAB1IMPDH2
SCHEMBL23022152 0.75 CYP2A6 (0.43) CYP2A6EP300KAT2BKAT8MAP3K7
SCHEMBL23021840 0.75 CYP2A6 (0.40) CYP2A6MAP3K7TAB1KDM4EALDH1A1
SCHEMBL3931535 0.75 CYP2A6 (0.41) CYP2A6CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8881790 0.71 CYP2A6 (0.51) CYP2A6GAAKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024201248-A1 COMPOUNDS AND METHODS FOR DEGRADING GSPT1 PIN THERAPEUTICS, INC. (KR) 2024-10-03 WO disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 US disclosed
US-8501769-B2 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 EP disclosed
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-01 US disclosed
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 WO disclosed
US-5856335-A GLYCINE PARTIAL AGONISTS. HOECHST MARION ROUSSEL, INC. (US) 1999-01-05 US disclosed
EP-0581106-B1 Substituted aminothienopyridines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-05-20 EP disclosed
US-5519032-A ANTIDEPRESSANTS, ANXIOLYTICS, ANTIEMETICS, ANTIPSYCHOTIC HOECHST MARION ROUSSEL INC. (US) 1996-05-21 US disclosed
EP-0587048-A2 Heteroarenylpiperazines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-03-16 EP disclosed
EP-0581106-A1 Substituted aminothienopyridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-02-02 EP disclosed
US-5272148-A Heteroarenylpiperazines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-12-21 US disclosed
US-5252581-A Modulators of neurotransmitters HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-10-12 US disclosed
US-4363909-A ANTIVIRAL AGENTS RHONE POULENC INDUSTRIES (FR) 1982-12-14 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 (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-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 CYP2A6 698/4885LMNA 3985/4885CYP1A2 949/4885
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 CYP2A6 1719/4885LMNA 4183/4885CYP1A2 2847/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 CYP2A6 1719/4885LMNA 4183/4885CYP1A2 2847/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 CYP2A6 733/4885LMNA 4029/4885CYP1A2 1012/4885
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 CYP2A6 3319/4885LMNA 1567/4885CYP1A2 2334/4885

“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.