SCHEMBL20079664

SCHEMBL20079664

CNC(=O)c1c(NC)ncn1CC(O)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ SYK P43405 3/20 0.38
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL20079665 0.74 HDAC1 (0.48) NOTUMSYKMAOAFLT1
SCHEMBL19036693 0.72 SCN10A (0.37) FLT1
SCHEMBL19036512 0.70 P2RY1 (0.37) —
SCHEMBL19036600 0.66 YTHDC1 (0.37) NPC1RAB9A
SCHEMBL9010469 0.64 IKBKB (0.36) NPC1RAB9A
SCHEMBL18175167 0.64 LMNA (0.37) —
SCHEMBL20079690 0.64 FLT1 (0.31) FLT1
SCHEMBL6706650 0.63 NPC1 (0.54) NOTUMNPC1RAB9AMAPTSYK
SCHEMBL10280149 0.63 TRPA1 (0.36) —
SCHEMBL29916259 0.63 NPC1 (0.54) NOTUMNPC1RAB9AMAPTSYK

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-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 — — US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 — — 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-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ULK1 3328/4885NOTUM 813/4885NPC1 2375/4885

“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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