SCHEMBL3886114

SCHEMBL3886114

N=c1sccn1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ALDH1A1 P00352 8/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ POLB P06746 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GFER P55789 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HTT P42858 1/20 0.43

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
Hydrochloric Acid SCHEMBL14119393 0.98 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
Bromide SCHEMBL9517907 0.98 NPC1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL7122888 0.82 NPC1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3273982 0.76 KMT2A (0.38) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL13779317 0.74 RAB9A (0.65) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL24163129 0.67 CSNK2A2 (0.38) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL3889066 0.66 INMT (0.44) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL6950367 0.65 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1KDM4EPOLB
Bromide SCHEMBL1668833 0.64 ALDH1A1 (0.35) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL9437077 0.64 KMT2A (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 — — US disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 — — US disclosed
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 — — US disclosed
EP-1744720-B1 KERATIN DYEING COMPOSITIONS CONTAINING bicyclic 5-5 heteroaromatic compounds PROCTER & GAMBLE (US) 2008-11-26 — — EP disclosed
EP-1456206-B1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2008-05-21 — — EP disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 — — US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 — — US disclosed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 — — US disclosed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 — — US disclosed
EP-1455779-B1 INDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-08-09 — — EP disclosed
US-20040209867-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-10-21 — — US disclosed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 — — US disclosed
EP-1455779-A1 INDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-09-15 — — EP disclosed
EP-1456206-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-09-15 — — EP disclosed
US-6770642-B2 FOR USE IN TREATMENT OF CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, EPILEPSY, OBSESSIVE COMPULSIVE DISORDER, ATTENTION DEFICIT DISORDER, MIGRAINE, COGNITIVE MEMORY ENHANCEMENT, ALZHEIMER'S DISEASE WYETH 2004-08-03 — — US disclosed
US-20040002527-A1 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-01-01 — — US disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 — — US disclosed
US-20030171353-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 — — US disclosed
WO-2003053433-A1 INDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-07-03 — — WO disclosed
WO-2003053970-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-07-03 — — 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 (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-20040002527-A1 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2A SMN1; SMN2 3120/4885NPC1 1168/4885RAB9A 3857/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 SMN1; SMN2 1475/4885NPC1 3296/4885RAB9A 3286/4885
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A SMN1; SMN2 4071/4885NPC1 2643/4885RAB9A 2746/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 SMN1; SMN2 4169/4885NPC1 3052/4885RAB9A 2693/4885
US-20040209867-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A SMN1; SMN2 3605/4885NPC1 794/4885RAB9A 2884/4885
US-20030171353-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A SMN1; SMN2 3605/4885NPC1 794/4885RAB9A 2884/4885

“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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