SCHEMBL660647

SCHEMBL660647

O=[N+]([O-])c1ccccc1C=Cc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.60
▸ RAB9A P51151 10/20 0.60
▸ KMT2A Q03164 7/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ MAPT P10636 6/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ ATM Q13315 1/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ GAA P10253 1/20 0.51
▸ SOS1 Q07889 1/20 0.50
▸ CYP19A1 P11511 2/20 0.49
▸ MAOB P27338 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL660646 1.00 NPC1 (0.60) NPC1RAB9AKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL9388184 0.98 NPC1 (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL710152 0.90 MAPT (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL710151 0.90 MAPT (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL10495647 0.84 RAB9A (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL10495643 0.84 RAB9A (0.57) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL10495656 0.84 RAB9A (0.57) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9978289 0.84 MAPT (0.69) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL14935499 0.84 MAPT (0.69) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL11049170 0.84 MAPT (0.69) NPC1RAB9AKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 — — EP claimed
EP-0973741-B1 S-2'-(2-(1-METHYL-2-PIPERIDYL) ETHYL) CINNAMANILIDE AS A 5-HT2 RECEPTOR ANTAGONIST AMER M SAMIR (US) 2003-06-11 — — EP claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 — — EP claimed
EP-0973741-A1 S-2'-(2-(1-METHYL-2-PIPERIDYL) ETHYL) CINNAMANILIDE AS A 5-HT2 RECEPTOR ANTAGONIST AMER, M. Samir (US) 2000-01-26 — — EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 — — WO claimed
WO-1998038165-A1 S-2'-(2-(1-METHYL-2-PIPERIDYL) ETHYL) CINNAMANILIDE AS A 5-HT2 RECEPTOR ANTAGONIST AMER MOH SAMIR (US) 1998-09-03 — — WO claimed
US-5780487-A INTERMEDIATE FOR SEROTONIN RECEPTOR ANTAGONIST VENTRUS BIOSCIENCES, INC. 1998-07-14 — — US claimed
WO-2013070236-A1 METHODS AND COMPOSITIONS FOR TREATING HEMORRHOIDS WHILE PROVIDING LOCAL ANESTHETIC AND ANTI-INFLAMMATORY EFFECTS VENTRUS BIOSCIENCES, INC. (US) 2013-05-16 — — WO disclosed
WO-2012026914-A1 METHODS AND COMPOSITIONS FOR TREATING INTERNAL AND EXTERNAL HEMORRHOIDS SAM AMER & CO., INC. (US) 2012-03-01 — — WO disclosed
US-20120046318-A1 METHODS AND COMPOSITIONS FOR TREATING INTERNAL AND EXTERNAL HEMORRHOIDS VENTRUS BIOSCIENCES, INC. 2012-02-23 — — US disclosed
US-20080300410-A1 Organic Compounds PRASHAD MAHAVIR 2008-12-04 — — US disclosed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 — — EP disclosed
CN-1203060-C Pyridine derivatives, compositions and uses thereof NOVARTIS AG (CH) 2005-05-25 — — CN disclosed
WO-1998038165-A1 S-2'-(2-(1-METHYL-2-PIPERIDYL) ETHYL) CINNAMANILIDE AS A 5-HT2 RECEPTOR ANTAGONIST AMER MOH SAMIR (US) 1998-09-03 — — WO disclosed
US-5780487-A INTERMEDIATE FOR SEROTONIN RECEPTOR ANTAGONIST VENTRUS BIOSCIENCES, INC. 1998-07-14 — — US disclosed
US-RE30812-E ANTIARRHTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-01 — — US disclosed
US-RE30811-E SEROTONIN ANTAGONISTS, ANTIARRHYTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-01 — — US disclosed
US-4064254-A ANTIARRHYTHMIC AND ANTISEROTONINE AGENTS MEAD JOHNSON & COMPANY (US) 1977-12-20 — — US disclosed
US-4000143-A ANTIARRHYTHMIC AND ANTISEROTONIN AGENTS MEAD JOHNSON & COMPANY (US) 1976-12-28 — — US disclosed
US-3931195-A ANTIARRHYTHMIA, ANTISEROTONIN MEAD JOHNSON & COMPANY (US) 1976-01-06 — — 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 (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-20080300410-A1 Organic Compounds C1S, C9, C1R NPC1 643/4885RAB9A 1413/4885KMT2A 2472/4885
US-20120046318-A1 METHODS AND COMPOSITIONS FOR TREATING INTERNAL AND EXTERNAL HEMORRHOIDS APC, P4HA1, EGLN2 NPC1 4307/4885RAB9A 4499/4885KMT2A 274/4885

“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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