SCHEMBL2844034

SCHEMBL2844034

Cc1cc2c(s1)CN(C)CCC2Oc1ccc(C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.41
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CHEK2 O96017 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAP4K4 O95819 1/20 0.37
PARP2 Q9UGN5 3/20 0.35
PARP15 Q460N3 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PARP1 P09874 1/20 0.35
PARP4 Q9UKK3 1/20 0.35
OPRK1 P41145 3/20 0.34
KCNH2 Q12809 2/20 0.34
PARP14 Q460N5 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
OPRM1 P35372 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
SCHEMBL2835987 0.84 TPH1 (0.38) CHEK2KMT2AMEN1PARP2PARP1
Hydrochloric Acid SCHEMBL3579033 0.80 MCHR1 (0.39) HRH3
SCHEMBL2835662 0.80 CHRNA3 (0.32) KMT2AMEN1ROCK2
SCHEMBL2840864 0.80 KMT2A (0.40) KMT2AMEN1NPC1RAB9AHRH3
SCHEMBL2838989 0.80 FPR2 (0.37) KCNH2
Hydrochloric Acid SCHEMBL2842024 0.79 SIGMAR1 (0.32) KMT2AMEN1ROCK2
Hydrochloric Acid SCHEMBL2842454 0.79 FPR2 (0.36) KCNH2OPRM1
Hydrochloric Acid SCHEMBL2836949 0.74 TPH1 (0.37) CHEK2KMT2AMEN1PARP2PARP1
SCHEMBL2837859 0.73 SSTR1 (0.36) KMT2A
SCHEMBL3075982 0.72 SCN1A (0.45) PARP10CHEK2MAP4K4OPRK1PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 PARP10 3923/4885SENP8 3588/4885SENP6 3354/4885

“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.