SCHEMBL17318684

SCHEMBL17318684

COc1ccccc1-c1nnc(NC(=O)c2ccc(F)cc2)s1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.69
▸ NPC1 O15118 9/20 0.69
▸ RAB9A P51151 8/20 0.69
▸ HSD17B10 Q99714 6/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ HPGD P15428 3/20 0.69
▸ TP53 P04637 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ AHR P35869 1/20 0.69
▸ LMNA P02545 1/20 0.67
▸ TSHR P16473 1/20 0.65
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ RXFP1 Q9HBX9 3/20 0.58
▸ CSNK2A2 P19784 1/20 0.57
▸ CSNK2A1 P68400 1/20 0.57
▸ NOX1 Q9Y5S8 1/20 0.53
▸ WNT3A P56704 1/20 0.53

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
SCHEMBL31536907 0.84 NPC1 (0.71) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL17318658 0.84 NPC1 (0.77) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL17318654 0.81 NPC1 (0.69) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL11392711 0.81 TP53 (0.65) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL28791192 0.79 CSNK2A2 (0.80) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17318693 0.79 NPC1 (0.68) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL17725645 0.78 KDM4E (0.72) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL28791183 0.77 NPC1 (0.70) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11396617 0.77 NPC1 (0.76) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL19128255 0.76 MAPT (0.55) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 — — US disclosed
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 — — WO 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-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 KDM4E 1696/4885NPC1 237/4885RAB9A 1296/4885

“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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