SCHEMBL4991802

SCHEMBL4991802

Cc1ccccc1NC(=O)COc1ccc(Br)cc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
BRD4 O60885 1/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 2/20 0.38
ALOX15 P16050 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
AMY1A P0DUB6 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
DHODH Q02127 1/20 0.37
HPGD P15428 1/20 0.36
USP2 O75604 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
SCHEMBL4999676 0.92 KMT2A (0.48) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL5000181 0.92 LMNA (0.44) LMNAALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL5002372 0.89 NPC1 (0.44) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL4997306 0.88 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL4994570 0.86 AMY1A (0.53) LMNAALDH1A1SMN1; SMN2MAPTTHRB
SCHEMBL4996816 0.85 LMNA (0.43) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL4993789 0.85 TP53 (0.41) LMNAALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL4991744 0.84 AMY1A (0.46) LMNAALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL4994720 0.84 RPS6KA3 (0.44) LMNASMN1; SMN2MAPTTP53NPC1
SCHEMBL4994626 0.84 LMNA (0.44) LMNAALDH1A1SMN1; SMN2MAPTTHRB

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 LMNA 4243/4885ALDH1A1 4153/4885SMN1; SMN2 3576/4885

“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.