SCHEMBL17318640

SCHEMBL17318640

Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.58
▸ SRC P12931 1/20 0.57
▸ NPC1 O15118 6/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ DHODH Q02127 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM1A O60341 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ FLT4 P35916 1/20 0.49
▸ KDR P35968 1/20 0.49

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
SCHEMBL17318619 0.88 NPC1 (0.58) RXFP1SRCNPC1RAB9AALDH1A1
SCHEMBL17318647 0.87 DDX3X (0.64) RXFP1SRCNPC1RAB9AHPGD
SCHEMBL20548599 0.82 MEN1 (0.55) RXFP1NPC1RAB9AALDH1A1HPGD
SCHEMBL17318585 0.80 NPC1 (0.61) RXFP1SRCNPC1RAB9AALDH1A1
SCHEMBL17318722 0.78 DDX3X (0.64) RXFP1SRCNPC1RAB9AALDH1A1
SCHEMBL17318698 0.77 NPC1 (0.64) RXFP1NPC1RAB9AALDH1A1HPGD
SCHEMBL2681276 0.76 RAB9A (0.69) RXFP1NPC1RAB9AALDH1A1NPSR1
SCHEMBL17318715 0.75 BLM (0.58) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL11391117 0.75 NPC1 (0.82) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL26424871 0.75 ALDH1A1 (0.58) SRCNPC1RAB9AALDH1A1HPGD

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 RXFP1 1457/4885SRC 2375/4885NPC1 237/4885

“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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