SCHEMBL18960417

SCHEMBL18960417

Cn1c(NCc2ccc(Oc3ccc(Cl)cn3)c(F)c2)nc2ccc(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
GRM4 Q14833 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
P2RX3 P56373 5/20 0.38
PPARG P37231 1/20 0.37
HRH4 Q9H3N8 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR3A P46098 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 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
SCHEMBL18960421 0.90 RAB9A (0.43) SMN1; SMN2NPC1RAB9ACYP3A4KMT2A
SCHEMBL18960434 0.88 NPC1 (0.48) SMN1; SMN2NPC1RAB9ACYP3A4KMT2A
SCHEMBL17488172 0.86 CYP3A4 (0.54) SMN1; SMN2NPC1RAB9ACYP3A4KMT2A
SCHEMBL18960433 0.83 NPC1 (0.50) SMN1; SMN2NPC1RAB9ACYP3A4KMT2A
SCHEMBL18965841 0.83 CYP3A4 (0.38) SMN1; SMN2NPC1RAB9ACYP3A4KMT2A
SCHEMBL18960425 0.82 CYP3A4 (0.50) SMN1; SMN2NPC1RAB9ACYP3A4KMT2A
SCHEMBL17488300 0.82 CYP3A4 (0.45) SMN1; SMN2NPC1RAB9ACYP3A4KMT2A
SCHEMBL17488304 0.81 GRM4 (0.43) SMN1; SMN2NPC1RAB9ACYP3A4KMT2A
SCHEMBL17487449 0.80 CSF1R (0.46) KMT2AGRM4P2RX3MEN1
SCHEMBL17487993 0.80 RAB9A (0.43) SMN1; SMN2NPC1RAB9ACYP3A4KMT2A

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 SMN1; SMN2 3381/4885NPC1 2764/4885RAB9A 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.