SCHEMBL4288394

SCHEMBL4288394

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccc(Br)o1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 7/20 0.38
TSHR P16473 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
MAPK10 P53779 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
CD274 Q9NZQ7 1/20 0.36
CSF1R P07333 1/20 0.36
POLB P06746 3/20 0.35
ATM Q13315 2/20 0.35
ALOX15 P16050 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4279659 0.90 SMN1; SMN2 (0.41) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL4285132 0.87 IRAK4 (0.40) LMNAHPGDALDH1A1NPC1RAB9A
SCHEMBL4279964 0.86 TSHR (0.39) LMNAHPGDALDH1A1TSHRRAB9A
SCHEMBL4289272 0.84 CD274 (0.41) HPGDALDH1A1RAB9ASMN1; SMN2GAA
SCHEMBL4292790 0.84 RAB9A (0.44) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL4284325 0.84 CD274 (0.36) CD274
SCHEMBL4288424 0.83 CD274 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2CD274
SCHEMBL4288766 0.83 CD274 (0.42) LMNAHPGDALDH1A1NPC1RAB9A
SCHEMBL4285433 0.82 CD274 (0.38) HPGDRAB9ASMN1; SMN2CD274
SCHEMBL4279726 0.82 HPGD (0.41) LMNAHPGDALDH1A1TSHRNPC1

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 LMNA 2198/4885HPGD 2563/4885ALDH1A1 694/4885

“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.