SCHEMBL5659949

SCHEMBL5659949

Cc1nc(C(=O)O)cc2c(N)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
NUDT1 P36639 1/20 0.42
ALOX15 P16050 2/20 0.42
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 2/20 0.41
ACMSD Q8TDX5 1/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CDC25B P30305 3/20 0.38
CDC25A P30304 1/20 0.38
CDC25C P30307 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GPR3 P46089 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38

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
SCHEMBL1872722 0.81 ALOX15 (0.45) ALDH1A1ALOX15KDM4ETDP1TSHR
SCHEMBL1202533 0.76 ALDH1A1 (0.50) HSD17B10ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL30420994 0.76 ALDH1A1 (0.50) HSD17B10ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL1349603 0.75 KDM4E (0.55) HSD17B10ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL12540405 0.74 NUDT1 (0.43) ALDH1A1NUDT1KDM4ELMNA
SCHEMBL6080191 0.73 KDM4E (0.45) ALOX15PARP1KDM4ETDP1TSHR
SCHEMBL2171563 0.73 NR4A2 (0.45) HSD17B10ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL11255211 0.72 KMT2A (0.45) HSD17B10ALDH1A1HPGDCYP1A2ALOX15
SCHEMBL6080058 0.71 KDM4E (0.46) ALOX15PARP1KDM4ETDP1TSHR
SCHEMBL16049662 0.70 KDM4E (0.56) HSD17B10ALDH1A1HPGDALOX15KDM4E

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-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 HSD17B10 3400/4885ALDH1A1 1267/4885HPGD 699/4885

“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.