SCHEMBL16007458

SCHEMBL16007458

CC(c1ncc(F)c(Cl)n1)N1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ ACKR3 P25106 8/20 0.42
▸ PAK1 Q13153 1/20 0.41
▸ F10 P00742 2/20 0.40
▸ NLRP3 Q96P20 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MERTK Q12866 1/20 0.38

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
SCHEMBL16007712 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL16017722 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL16007576 0.80 KDR (0.51) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL16007186 0.80 KDR (0.54) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL16007848 0.78 KDR (0.49) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL16017750 0.76 KDR (0.47) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL16007711 0.75 KDR (0.57) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL16007606 0.75 KDR (0.53) NPC1RAB9ASMN1; SMN2KDRACKR3
SCHEMBL16007369 0.75 KDR (0.54) NPC1KDRACKR3
Diethylamine SCHEMBL16007729 0.75 KDR (0.51) NPC1RAB9ASMN1; SMN2TP53NFKB1

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-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2014-09-11 — — US claimed
US-9227955-B2 Compound having angiogenesis inhibitory activity, method for preparing same, and pharmaceutical composition comprising same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2016-01-05 — — US disclosed
US-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2014-09-11 — — 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-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same VEGFA, EDF1, FLT1 NPC1 2111/4885RAB9A 743/4885SMN1; SMN2 4095/4885

“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.

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