SCHEMBL17318722

SCHEMBL17318722

COc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 4/20 0.64
▸ KDM4E B2RXH2 5/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ 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 6/20 0.60
▸ NPC1 O15118 6/20 0.60
▸ CSNK2A2 P19784 1/20 0.60
▸ CSNK2A1 P68400 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.57
▸ GUSB P08236 1/20 0.55
▸ HPGD P15428 2/20 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
SCHEMBL17318647 0.91 DDX3X (0.64) DDX3XKDM4EKMT2AMEN1MAPT
SCHEMBL17318701 0.83 CSNK2A2 (0.80) DDX3XKDM4EKMT2AMEN1ALDH1A1
SCHEMBL17318616 0.79 KCNMA1 (0.65) KDM4EKMT2AMEN1ALDH1A1HTT
SCHEMBL17318533 0.78 KDM4E (0.73) DDX3XKDM4EKMT2AMEN1ALDH1A1
SCHEMBL17318655 0.78 NPC1 (0.84) DDX3XKDM4EKMT2AMEN1ALDH1A1
SCHEMBL17318640 0.78 RXFP1 (0.58) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL17318585 0.77 NPC1 (0.61) DDX3XKMT2AMEN1ALDH1A1MAPT
SCHEMBL17318597 0.77 DDX3X (0.77) DDX3XKDM4EKMT2AMEN1MAPT
SCHEMBL11391117 0.77 NPC1 (0.82) DDX3XKDM4EKMT2AMEN1ALDH1A1
SCHEMBL17318677 0.76 KDM4E (1.00) DDX3XKDM4EKMT2AMEN1ALDH1A1

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 1696/4885KMT2A 2451/4885

“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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