SCHEMBL6485333

SCHEMBL6485333

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(C(=O)NN3CCC(NC(=O)Nc4cccc(Cl)c4)CC3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.53
NTRK2 Q16620 8/20 0.53
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
F2 P00734 3/20 0.46
CYP2D6 P10635 1/20 0.45
F10 P00742 1/20 0.45
HPN P05981 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
HGFAC Q04756 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
EPHX2 P34913 1/20 0.44
KMT2A Q03164 1/20 0.41

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
SCHEMBL6485973 0.92 KDM4E (0.47) NTRK1NTRK2KDM4ELMNAHSD17B10
SCHEMBL6475950 0.92 F10 (0.48) NTRK1NTRK2KDM4ELMNAHSD17B10
SCHEMBL6475740 0.92 KDM4E (0.46) NTRK1NTRK2KDM4ELMNAHSD17B10
SCHEMBL6476069 0.90 KDM4E (0.45) NTRK1NTRK2KDM4ELMNAHSD17B10
SCHEMBL7117466 0.90 NTRK1 (0.54) NTRK1NTRK2KDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL6475613 0.88 F2 (0.45) NTRK1NTRK2KDM4ELMNAHSD17B10
SCHEMBL6474788 0.85 F2 (0.55) KDM4ENPC1RAB9AF2F10
SCHEMBL6482629 0.85 F2 (0.55) HSD17B10NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6476545 0.84 F2 (0.50) NTRK1NTRK2NPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6474728 0.84 F2 (0.55) HSD17B10NPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855713-B2 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US claimed
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US claimed
US-6855713-B2 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 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-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine TPSAB1, PRSS3, TPSD1 NTRK1 4200/4885NTRK2 3834/4885KDM4E 2785/4885

“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.