SCHEMBL17318647

SCHEMBL17318647

COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 4/20 0.64
▸ KDM4E B2RXH2 3/20 0.61
▸ MAPT P10636 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 5/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ CSNK2A2 P19784 1/20 0.60
▸ CSNK2A1 P68400 1/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.57
▸ SRC P12931 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ USP8 P40818 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ ABL1 P00519 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
SCHEMBL17318722 0.91 DDX3X (0.64) DDX3XKDM4EMAPTSMN1; SMN2TP53
SCHEMBL17318640 0.87 RXFP1 (0.58) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL17318619 0.85 NPC1 (0.58) KDM4EMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL17318701 0.83 CSNK2A2 (0.80) DDX3XKDM4EMAPTSMN1; SMN2TP53
SCHEMBL17318655 0.78 NPC1 (0.84) DDX3XKDM4EMAPTSMN1; SMN2TP53
SCHEMBL11120915 0.78 KCNH2 (0.76) KDM4EMAPTTP53RAB9ANPC1
SCHEMBL17318585 0.77 NPC1 (0.61) DDX3XMAPTRAB9ANPC1KMT2A
SCHEMBL11391117 0.77 NPC1 (0.82) DDX3XKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL17318597 0.77 DDX3X (0.77) DDX3XKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL15523762 0.76 KDM4E (0.84) KDM4EMAPTSMN1; SMN2KMT2ACSNK2A2

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 DDX3X 49/4885KDM4E 1696/4885MAPT 4538/4885

“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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