SCHEMBL6795644

SCHEMBL6795644

Cc1ncccc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.56
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
HTR2C P28335 8/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL25180088 0.83 HSPB1 (0.56) HSPB1MAPTNPSR1MEN1PABPC1
SCHEMBL17571121 0.83 HSPB1 (0.59) HSPB1MAPTNPSR1MEN1PABPC1
SCHEMBL20818065 0.81 MEN1 (0.51) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL1978695 0.81 KEAP1 (0.59) HSPB1MAPTNPSR1MEN1PABPC1
SCHEMBL25200788 0.80 HSPB1 (0.59) HSPB1MAPTMEN1PABPC1KMT2A
SCHEMBL1980920 0.80 HSPB1 (0.55) HSPB1MAPTNPSR1MEN1PABPC1
SCHEMBL27449389 0.78 HSPB1 (0.70) HSPB1MAPTNPSR1MEN1PABPC1
SCHEMBL1980276 0.78 HSPB1 (0.56) HSPB1MAPTNPSR1MEN1PABPC1
SCHEMBL16792542 0.77 HSPB1 (0.75) HSPB1MAPTNPSR1MEN1PABPC1
SCHEMBL25184221 0.77 KMT2A (0.60) HSPB1MAPTNPSR1MEN1PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743818-B2 TREATING ANXIETY, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE, COGNITIVE DISORDERS, PSYCHOSES, DEPRESSION AND MOOD DISORDERS LES LABORATOIRES SERVIER (FR) 2004-06-01 US disclosed
US-20030032812-A1 Cyclobutaindolecarboxamide compounds PEGLION JEAN-LOUIS (FR) 2003-02-13 US disclosed
EP-0912554-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-11-27 EP disclosed
US-6452015-B2 FOR TREATMENT OF ANXIETY, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE, COGNITIVE DISORDERS, PSYCHOSES, DEPRESSION AND MOOD DISORDERS LES LABORATOIRES SERVIER (FR) 2002-09-17 US disclosed
US-6369060-B1 CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY; 5-METHYL-6-TRIFLUOROMETHYL-1-(6-(2-METHYLPYRIDIN-3-YLOXY)-PYRIDIN-3-YL CARBAMOYL)INDOLINE AND 5-METHYL-1-(6-(2-METHYLPYRIDIN-3-YLOXY) -PYRIDAZIN-3-YLCARBAMOYL)-6-TRIFLUOROMETHYLINDOLINE SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-09 US disclosed
US-20010044426-A1 Cyclobutaindolecarboxamide compounds LES LABORATOIRES SERVIER (FR) 2001-11-22 US disclosed
EP-0912554-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1997048699-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 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-20010044426-A1 Cyclobutaindolecarboxamide compounds HRH4, HTR4, CNR1 HSPB1 2339/4885MAPT 1453/4885NPSR1 1628/4885
US-20030032812-A1 Cyclobutaindolecarboxamide compounds CYP2W1, HRH4, CNR1 HSPB1 1688/4885MAPT 1006/4885NPSR1 1450/4885

“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.