SCHEMBL5002372

SCHEMBL5002372

O=C(COc1ccc(Br)cc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
HTT P42858 1/20 0.41
POLB P06746 4/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRNP P04156 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 5/20 0.36
MAPT P10636 3/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CDC7 O00311 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4997306 0.92 ALDH1A1 (0.48) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4996893 0.91 SMN1; SMN2 (0.42) NPC1POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL4991802 0.89 LMNA (0.50) NPC1POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL4996816 0.89 LMNA (0.43) HTTPOLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL4993789 0.89 TP53 (0.41) NPC1POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL4999676 0.89 KMT2A (0.48) NPC1POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL4994626 0.88 LMNA (0.44) HTTALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL4996554 0.86 CDC7 (0.40) NPC1POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL4991477 0.85 MAPT (0.44) HTTALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL4994003 0.84 CDC7 (0.40) CDC7

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 NPC1 3564/4885HTT 3406/4885POLB 3094/4885

“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.