SCHEMBL6264247

SCHEMBL6264247

CN(C(=O)c1ccccc1)c1ccc(NCC(O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.47
ATM Q13315 1/20 0.43
KMT2A Q03164 4/20 0.42
MAPT P10636 5/20 0.42
HCAR3 P49019 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL6264237 1.00 BDKRB1 (0.47) BDKRB1ATMKMT2AMAPTHCAR3
SCHEMBL6264244 1.00 BDKRB1 (0.47) BDKRB1ATMKMT2AMAPTHCAR3
SCHEMBL6260513 0.81 BDKRB1 (0.41) BDKRB1ATMKMT2AMAPTHCAR3
SCHEMBL6260519 0.81 BDKRB1 (0.41) BDKRB1ATMKMT2AMAPTHCAR3
SCHEMBL6024379 0.80 KMT2A (0.50) ATMKMT2AMAPTHCAR3NPSR1
SCHEMBL400483 0.80 HCAR3 (0.62) KMT2AMAPTHCAR3ALDH1A1PKM
SCHEMBL6023060 0.78 HCAR3 (0.55) KMT2AMAPTHCAR3HTTRXFP1
SCHEMBL29868057 0.78 KMT2A (0.64) ATMKMT2AMAPTHCAR3HTT
SCHEMBL29868045 0.78 KMT2A (0.64) ATMKMT2AMAPTHCAR3HTT
SCHEMBL10225877 0.75 MAPT (0.50) KMT2AMAPTHTTMAPK1ALDH1A1

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 2 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

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 BDKRB1 351/4885ATM 301/4885KMT2A 1803/4885

“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.