SCHEMBL4284612

SCHEMBL4284612

O=C(Nc1c[nH]nc1C(=O)NCc1ccco1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TSHR P16473 5/20 0.46
HSD17B10 Q99714 5/20 0.46
MAPK8 P45983 1/20 0.45
SRPK1 Q96SB4 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
ALOX15 P16050 2/20 0.45
MMP2 P08253 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL5272283 0.89 ALDH1A1 (0.69) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL5269122 0.86 ALDH1A1 (0.54) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL4293270 0.83 KDR (0.53) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL5266740 0.83 TDP1 (0.49) ALDH1A1TDP1HPGDSMN1; SMN2LMNA
SCHEMBL5128520 0.83 ALDH1A1 (0.71) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL5267455 0.82 SMN1; SMN2 (0.63) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL5267614 0.82 ALDH1A1 (0.53) ALDH1A1TDP1KMT2AHPGDSMN1; SMN2
SCHEMBL12000420 0.81 HPGD (0.56) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL13816897 0.81 TDP1 (0.51) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL5270730 0.81 HPGD (0.69) ALDH1A1TDP1HPGDSMN1; SMN2LMNA

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 ALDH1A1 694/4885TDP1 1316/4885MEN1 1910/4885

“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.