SCHEMBL17318533

SCHEMBL17318533

COc1ccc(-c2nnc(NC(=O)c3ccoc3C)s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.73
▸ MAPT P10636 4/20 0.73
▸ HPGD P15428 4/20 0.73
▸ HSD17B10 Q99714 3/20 0.73
▸ ALDH1A1 P00352 2/20 0.73
▸ RAB9A P51151 10/20 0.68
▸ NPC1 O15118 8/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ KMT2A Q03164 3/20 0.66
▸ RECQL P46063 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ DDX3X O00571 4/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ TP53 P04637 2/20 0.62
▸ TSHR P16473 1/20 0.62
▸ CSNK2A2 P19784 1/20 0.61
▸ CSNK2A1 P68400 1/20 0.61
▸ LMNA P02545 2/20 0.60

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
SCHEMBL17318671 0.81 NPC1 (1.00) KDM4EMAPTHPGDALDH1A1RAB9A
SCHEMBL17318666 0.81 KMT2A (0.75) KDM4EMAPTHPGDHSD17B10ALDH1A1
SCHEMBL17318655 0.79 NPC1 (0.84) KDM4EMAPTHPGDALDH1A1RAB9A
SCHEMBL17318649 0.79 SMN1; SMN2 (0.72) KDM4EMAPTHPGDHSD17B10ALDH1A1
SCHEMBL17318722 0.78 DDX3X (0.64) KDM4EMAPTHPGDHSD17B10ALDH1A1
SCHEMBL17318637 0.78 CSNK2A2 (0.81) KDM4EMAPTHPGDALDH1A1RAB9A
SCHEMBL17318597 0.78 DDX3X (0.77) KDM4EMAPTRAB9ANPC1TDP1
SCHEMBL17318677 0.77 KDM4E (1.00) KDM4EMAPTHPGDHSD17B10ALDH1A1
SCHEMBL17318647 0.76 DDX3X (0.64) KDM4EMAPTHPGDRAB9ANPC1
SCHEMBL28791192 0.75 CSNK2A2 (0.80) KDM4EMAPTHPGDALDH1A1RAB9A

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 1696/4885MAPT 4538/4885HPGD 4520/4885

“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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