SCHEMBL18960435

SCHEMBL18960435

Cn1c(NCc2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)nc2ccc(N)cc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.52
KLKB1 P03952 6/20 0.50
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL18965854 0.83 F10 (0.46) F10KLKB1RAB9ASMN1; SMN2NPC1
SCHEMBL18960439 0.82 NPC1 (0.44) F10KLKB1RAB9ASMN1; SMN2NPC1
SCHEMBL17488012 0.81 HDAC1 (0.52) F10KLKB1RAB9ASMN1; SMN2NPC1
SCHEMBL18960433 0.78 NPC1 (0.50) RAB9ASMN1; SMN2NPC1KMT2ATP53
SCHEMBL17488172 0.77 CYP3A4 (0.54) RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL18960407 0.77 NPC1 (0.59) RAB9ASMN1; SMN2NPC1KMT2ATP53
SCHEMBL21660948 0.77 NPC1 (0.56) RAB9ASMN1; SMN2NPC1KMT2ATP53
SCHEMBL18960434 0.77 NPC1 (0.48) RAB9ASMN1; SMN2NPC1KMT2ATP53
SCHEMBL18960437 0.77 NPC1 (0.48) RAB9ASMN1; SMN2NPC1KMT2ATP53
SCHEMBL17488146 0.76 NPC1 (0.49) RAB9ASMN1; SMN2NPC1KMT2ATP53

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 F10 1550/4885KLKB1 4308/4885RAB9A 3982/4885

“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.