SCHEMBL17318671

SCHEMBL17318671

COc1ccc(-c2nnc(NC(=O)c3ccco3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 1.00
▸ RAB9A P51151 9/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ ALDH1A1 P00352 4/20 0.72
▸ HPGD P15428 2/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ CSNK2A2 P19784 2/20 0.70
▸ CSNK2A1 P68400 2/20 0.70
▸ MAPT P10636 4/20 0.69
▸ KDM4E B2RXH2 3/20 0.69
▸ POLB P06746 2/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ XBP1 P17861 1/20 0.66
▸ KMT2A Q03164 5/20 0.65
▸ MEN1 O00255 4/20 0.65
▸ TP53 P04637 2/20 0.65
▸ LMNA P02545 1/20 0.65
▸ MAPK1 P28482 1/20 0.65

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
SCHEMBL17318592 0.83 NPC1 (0.76) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL13357689 0.82 NPC1 (0.74) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL17318533 0.81 KDM4E (0.73) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL17318693 0.81 NPC1 (0.68) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL17318649 0.81 SMN1; SMN2 (0.72) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL17318666 0.80 KMT2A (0.75) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL17318681 0.80 NPC1 (0.70) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL11393668 0.79 TP53 (0.67) NPC1RAB9ATDP1ALDH1A1CSNK2A2
SCHEMBL17318669 0.79 RAB9A (0.79) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL2281137 0.78 RAB9A (0.68) NPC1RAB9ATDP1HPGDCSNK2A2

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 1296/4885TDP1 1026/4885

“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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