SCHEMBL4244552

SCHEMBL4244552

NC(=O)c1ccc(OCc2ccccc2)cc1.O=C(O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.57
OPRK1 P41145 2/20 0.53
KCNH2 Q12809 1/20 0.53
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
EPHX2 P34913 3/20 0.48
NR4A2 P43354 2/20 0.47
CHEK2 O96017 1/20 0.46
LMNA P02545 1/20 0.46
FFAR2 O15552 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
SRD5A1 P18405 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2J2 P51589 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CASP3 P42574 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
SCHEMBL19610351 0.87 FAAH (0.52) NPC1RAB9AALDH1A1MAPTNR4A2
SCHEMBL4244649 0.86 PARP10 (0.53) PARP10OPRK1KCNH2EPHX2CHEK2
SCHEMBL27670148 0.85 PARP10 (0.54) PARP10NPC1RAB9AALDH1A1MAPT
SCHEMBL4244550 0.83 EPHX2 (0.54) NPC1RAB9AALDH1A1MAPTEPHX2
SCHEMBL19610193 0.82 SMN1; SMN2 (0.53) NPC1RAB9AALDH1A1LMNACASP3
SCHEMBL27900126 0.82 PARP10 (0.67) PARP10OPRK1KCNH2ALDH1A1EPHX2
SCHEMBL4246345 0.82 PARP10 (0.64) PARP10RAB9ANR4A2ADAMTS5NR4A1
SCHEMBL4251983 0.81 PARP10 (0.62) PARP10NPC1RAB9ANR4A2CHEK2
SCHEMBL4240708 0.80 PARP10 (0.54) PARP10OPRK1KCNH2EPHX2SRD5A1
SCHEMBL27670250 0.80 PARP10 (0.61) PARP10NPC1RAB9AEPHX2NR4A2

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-20090170901-A1 Benzoyl Urea Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-07-02 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-20090170901-A1 Benzoyl Urea Derivatives OPRM1, GRIN2C, GRIN3A PARP10 3694/4885OPRK1 8/4885KCNH2 251/4885

“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.