SCHEMBL4997306

SCHEMBL4997306

Cc1ccc(NC(=O)COc2ccc(Br)cc2-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
POLB P06746 4/20 0.48
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
CETP P11597 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 2/20 0.38
BRD4 O60885 1/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5002372 0.92 NPC1 (0.44) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL4993789 0.92 TP53 (0.41) ALDH1A1POLBMAPTLMNATP53
SCHEMBL4991477 0.90 MAPT (0.44) ALDH1A1MAPTCETPTP53SMN1; SMN2
SCHEMBL4991802 0.88 LMNA (0.50) ALDH1A1POLBMAPTLMNATP53
SCHEMBL4999676 0.86 KMT2A (0.48) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL4996880 0.85 DHODH (0.49) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL4996554 0.84 CDC7 (0.40) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL4996641 0.84 MAPT (0.44) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL4996816 0.83 LMNA (0.43) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL4996893 0.83 SMN1; SMN2 (0.42) ALDH1A1POLBMAPTLMNACETP

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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 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 (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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 ALDH1A1 4153/4885POLB 3094/4885MAPT 1363/4885

“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.