SCHEMBL7544748

SCHEMBL7544748

Cc1cc([N+](=O)[O-])cnc1OCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.50
POLB P06746 1/20 0.47
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 3/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL31093900 0.83 MAPT (0.52) MGMTPOLBALDH1A1KMT2AHTT
SCHEMBL6187801 0.81 KMT2A (0.51) MGMTPOLBALDH1A1KMT2AHTT
SCHEMBL6187792 0.78 ALDH1A1 (0.54) MGMTPOLBALDH1A1KMT2AHTT
SCHEMBL7539477 0.77 SYK (0.49) MGMTL3MBTL1HTR2AHTR2CHTR2B
SCHEMBL3378265 0.76 MAPT (0.44) POLBALDH1A1KMT2AHTTGAA
SCHEMBL6754375 0.76 ALDH1A1 (0.53) POLBALDH1A1KMT2AHTTGAA
SCHEMBL7537239 0.76 POLB (0.54) MGMTPOLBALDH1A1KMT2AHTT
SCHEMBL30716904 0.76 POLB (0.54) MGMTPOLBALDH1A1KMT2AHTT
SCHEMBL22009630 0.74 HTT (0.50) ALDH1A1KMT2AHTTGAAMEN1
SCHEMBL6794700 0.74 ALDH1A1 (0.56) POLBALDH1A1KMT2AHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147485-C Indoline derivatives useful as 5-HT-2C receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-04-28 CN disclosed
US-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM P.L.C. 2002-03-21 US disclosed
US-6313145-B1 FOR THERAPY OF ANXIETY AND/OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-06 US disclosed
EP-0912556-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-10-04 EP disclosed
CN-1222152-A Indoline derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-07-07 CN disclosed
EP-0912556-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1997048700-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 (1 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-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists HTR2C, HTR1A, HTR1D MGMT 1854/4885POLB 4422/4885ALDH1A1 703/4885

“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.