SCHEMBL4284499

SCHEMBL4284499

Nc1c[nH]nc1C(=O)NCc1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 3/20 0.51
MAPK8 P45983 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MLYCD O95822 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL13816897 0.85 TDP1 (0.51) TDP1PKMSMN1; SMN2TP53RAB9A
SCHEMBL4287032 0.81 HPGD (0.58) TDP1PKMMAPK8ALDH1A1POLB
SCHEMBL5266740 0.80 TDP1 (0.49) TDP1PKMSMN1; SMN2TP53TSHR
SCHEMBL5268265 0.78 TDP1 (0.47) TDP1PKMSMN1; SMN2TP53TSHR
SCHEMBL5269122 0.78 ALDH1A1 (0.54) TDP1PKMSMN1; SMN2NPC1TP53
SCHEMBL4287682 0.78 ALDH1A1 (0.52) PKMTSHRALDH1A1POLBADORA2A
SCHEMBL4284612 0.76 ALDH1A1 (0.51) TDP1PKMSMN1; SMN2TP53TSHR
SCHEMBL5268923 0.76 ALDH1A1 (0.47) TDP1PKMSMN1; SMN2NPC1TP53
SCHEMBL5270376 0.76 TSHR (0.50) TDP1PKMSMN1; SMN2TP53TSHR
SCHEMBL5269241 0.76 POLB (0.53) PKMSMN1; SMN2NPC1TP53RAB9A

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP TDP1 1316/4885PKM 855/4885SMN1; SMN2 4064/4885

“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.