SCHEMBL17717067

SCHEMBL17717067

Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.67
▸ RAB9A P51151 10/20 0.67
▸ MAPT P10636 5/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ LMNA P02545 4/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ TP53 P04637 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.61
▸ HTT P42858 1/20 0.61
▸ HPGD P15428 1/20 0.55
▸ KLK7 P49862 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ GFER P55789 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47

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
SCHEMBL17717103 0.81 NPC1 (0.66) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL16689130 0.79 RAB9A (0.63) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL17716973 0.78 KDM4E (0.67) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL17717094 0.78 KDM4E (0.67) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL17717070 0.78 LMNA (0.67) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL17717079 0.77 NPC1 (0.60) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL17717032 0.76 ADCY1 (0.69) RAB9AMAPTKDM4ELMNASMN1; SMN2
SCHEMBL17717124 0.76 ADCY1 (0.65) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL17717061 0.76 LMNA (0.64) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL17717092 0.76 LMNA (0.64) NPC1RAB9AMAPTKDM4ELMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 — — US disclosed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 — — US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 — — US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 — — US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 — — US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 — — US 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 (2 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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR NPC1 4797/4885RAB9A 4156/4885MAPT 4669/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR NPC1 4797/4885RAB9A 4156/4885MAPT 4669/4885

“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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