SCHEMBL3110189

SCHEMBL3110189

Cc1c[nH]nc1N(C(=O)NO)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.35
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 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
SCHEMBL1563099 0.74 NPSR1 (0.58) MEN1KMT2APOLBCA1CA2
SCHEMBL402771 0.73 NPSR1 (0.41) MEN1KMT2APOLBCA1CA2
SCHEMBL5014878 0.69 HDAC6 (0.34) MEN1KMT2ACA1CA2NPSR1
SCHEMBL11806243 0.65 NPSR1 (0.42) MEN1KMT2APOLBCA1CA2
SCHEMBL12914594 0.64 NPSR1 (0.61) MEN1KMT2ATSHRPOLBCA1
SCHEMBL27663452 0.64 HTT (0.55) MEN1KMT2APOLBHPGD
SCHEMBL6832262 0.62 NPSR1 (0.39) MEN1KMT2ATSHRPOLBCA1
SCHEMBL27716922 0.62 KMT2A (0.42) MEN1KMT2ATSHRPOLBCA1
SCHEMBL264029 0.61 NPSR1 (0.56) MEN1KMT2ATSHRPOLBCA1
SCHEMBL900147 0.61 NPSR1 (0.56) MEN1KMT2ATSHRPOLBCA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2010-06-17 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-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER TP53, MGMT, VHL MEN1 2378/4885KMT2A 347/4885TSHR 3105/4885

“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.