SCHEMBL6263158

SCHEMBL6263158

O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.68
RAB9A P51151 2/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HPGDS O60760 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ACKR3 P25106 1/20 0.49
NR4A2 P43354 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAPK1 P28482 1/20 0.46
SRD5A2 P31213 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 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
SCHEMBL6264400 0.84 HPGDS (0.61) APPRAB9APOLBMEN1KMT2A
SCHEMBL11106853 0.82 APP (0.66) APPGAAACKR3
SCHEMBL12491620 0.82 APP (1.00) APPALDH1A1GAACES1
SCHEMBL3101314 0.81 HDAC6 (0.63) APPHDAC1HDAC6HSD17B1HSD17B2
SCHEMBL12496213 0.81 APP (0.55) APPRAB9APOLBMEN1KMT2A
SCHEMBL11519845 0.79 APP (0.85) APPRAB9APOLBMEN1KMT2A
SCHEMBL5903956 0.78 KDM4E (0.51) APPRAB9APOLBMEN1KMT2A
SCHEMBL6257899 0.78 KDM4E (0.63) APPRAB9APOLBMEN1KMT2A
SCHEMBL7258537 0.77 ALDH1A1 (0.58) APPRAB9APOLBMEN1KMT2A
SCHEMBL2083801 0.77 MEN1 (0.72) APPRAB9APOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 WO disclosed
CN-1059142-A New thiophene derivant FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-04 CN 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK APP 2857/4885RAB9A 2463/4885POLB 3466/4885

“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.