SCHEMBL3634296

SCHEMBL3634296

CCC(C)[C@H](N)C(=S)NCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
GAA P10253 1/20 0.55
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CTSL P07711 1/20 0.52
RECQL P46063 1/20 0.50
KEAP1 Q14145 1/20 0.50
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL3634546 0.87 BCL6 (0.44) ALDH1A1GAAKMT2APKMLMNA
SCHEMBL3626961 0.83 ALDH1A1 (0.36) ALDH1A1GAAKMT2APKMLMNA
SCHEMBL3628458 0.83 LMNA (0.47) ALDH1A1GAAPKMLMNAHTT
SCHEMBL3667275 0.83 KMT2A (0.50) ALDH1A1GAAKMT2APKMLMNA
SCHEMBL3633486 0.78 FAAH (0.41) ALDH1A1GAASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL9130470 0.77 KMT2A (0.59) ALDH1A1KMT2APKMLMNAHPGD
SCHEMBL3626601 0.77 HDAC3 (0.35) ALDH1A1GAAKMT2ALMNASMN1; SMN2
SCHEMBL4747916 0.74 PKM (0.66) ALDH1A1GAAKMT2APKMLMNA
SCHEMBL12310930 0.74 PKM (0.66) ALDH1A1GAAKMT2APKMLMNA
SCHEMBL19324336 0.74 PKM (0.66) ALDH1A1GAAKMT2APKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP claimed
EP-2131854-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY Aeterna Zentaris Gmbh (DE) 2009-12-16 EP claimed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US claimed
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS AETERNA ZENTARIS GMBH (DE) 2009-03-19 US claimed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO claimed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP claimed
WO-2008107446-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY ÆTERNA ZENTARIS GMBH (DE) 2008-09-12 WO claimed
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP disclosed
EP-2131854-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY Aeterna Zentaris Gmbh (DE) 2009-12-16 EP disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US disclosed
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS AETERNA ZENTARIS GMBH (DE) 2009-03-19 US disclosed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO disclosed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP disclosed
WO-2008107446-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY ÆTERNA ZENTARIS GMBH (DE) 2008-09-12 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 (3 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-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885GAA 4227/4885KMT2A 4477/4885
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS LHCGR, GNRHR, FSHR ALDH1A1 727/4885GAA 931/4885KMT2A 1560/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885GAA 4227/4885KMT2A 4477/4885

“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.