SCHEMBL4279964

SCHEMBL4279964

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 8/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CD274 Q9NZQ7 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4289272 0.87 CD274 (0.41) SMN1; SMN2MAPK1POLBALDH1A1HPGD
SCHEMBL4279659 0.86 SMN1; SMN2 (0.41) TSHRSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL4288394 0.86 LMNA (0.39) TSHRSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL4285433 0.85 CD274 (0.38) SMN1; SMN2HPGDHSD17B10CD274RAB9A
SCHEMBL4292790 0.85 RAB9A (0.44) TSHRSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL4285132 0.85 IRAK4 (0.40) SMN1; SMN2ALDH1A1HPGDNPSR1KMT2A
SCHEMBL4288424 0.84 CD274 (0.37) SMN1; SMN2POLBALDH1A1KMT2ACD274
SCHEMBL4279726 0.84 HPGD (0.41) TSHRSMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL4288766 0.84 CD274 (0.42) SMN1; SMN2POLBALDH1A1HPGDHSD17B10
SCHEMBL4287650 0.83 IRAK4 (0.36) CD274RAB9A

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 TSHR 2251/4885SMN1; SMN2 4064/4885MAPK1 430/4885

“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.