SCHEMBL17318698

SCHEMBL17318698

Cc1ccc(-c2nnc(NC(=O)c3ccccc3C)s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.64
▸ RAB9A P51151 6/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ DDX3X O00571 5/20 0.61
▸ HPGD P15428 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.57
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55

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
SCHEMBL12525964 0.88 CSNK2A2 (0.72) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL17318586 0.88 KDM4E (0.66) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL17318553 0.87 NPC1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL26884000 0.80 RAB9A (0.62) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11386627 0.78 KMT2A (0.67) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL17318645 0.77 SMN1; SMN2 (0.76) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12700360 0.77 DDX3X (0.84) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL17318640 0.77 RXFP1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL17318655 0.77 NPC1 (0.84) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL22616866 0.77 USP2 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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 NPC1 237/4885RAB9A 1296/4885ALDH1A1 3582/4885

“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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