SCHEMBL5658295

SCHEMBL5658295

CCc1cc2c(N)cccc2c(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.44
NR4A2 P43354 3/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 5/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KEAP1 Q14145 1/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
PTBP1 P26599 1/20 0.36
RAB9A P51151 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
SCHEMBL31728835 0.78 NR4A2 (0.47) PARP1NR4A2ALDH1A1CYP3A4HSD17B10
SCHEMBL5261148 0.74 L3MBTL1 (0.41) ALDH1A1CYP3A4HSD17B10TDP1NOS3
SCHEMBL5657561 0.73 TDP1 (0.49) ALDH1A1TDP1KDM4EPOLBKMT2A
SCHEMBL6169454 0.72 CYP3A4 (0.44) PARP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL5749326 0.70 ALDH1A1 (0.50) PARP1NR4A2ALDH1A1CYP3A4HSD17B10
SCHEMBL11252988 0.68 PARP1 (0.40) PARP1HSD17B10TDP1KDM4EPOLB
SCHEMBL4820896 0.68 HTR3A (0.46) PARP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL9709703 0.68 NCF1 (0.59) ALDH1A1HSD17B10HPGDTSHRTDP1
SCHEMBL2171563 0.68 NR4A2 (0.45) PARP1NR4A2ALDH1A1CYP3A4HSD17B10
SCHEMBL112688 0.67 NOS3 (0.38) PARP1ALDH1A1CYP3A4HSD17B10HPGD

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 PARP1 2322/4885NR4A2 66/4885ALDH1A1 1267/4885

“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.