SCHEMBL16689130

SCHEMBL16689130

O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc2ncsc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.63
▸ NPC1 O15118 10/20 0.63
▸ KDM4E B2RXH2 8/20 0.63
▸ LMNA P02545 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ MAPT P10636 3/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ ALDH1A1 P00352 7/20 0.59
▸ HTT P42858 1/20 0.59
▸ HPGD P15428 4/20 0.56
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ USP2 O75604 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ GFER P55789 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KLK7 P49862 1/20 0.46

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
SCHEMBL17717079 0.88 NPC1 (0.60) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL17717103 0.86 NPC1 (0.66) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL17716973 0.83 KDM4E (0.67) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL17717062 0.80 KDM4E (0.68) RAB9AKDM4ELMNASMN1; SMN2MAPT
SCHEMBL17717094 0.79 KDM4E (0.67) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL17717067 0.79 NPC1 (0.67) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL18838505 0.78 KDM4E (0.68) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL17717030 0.77 KDM4E (0.65) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL17717108 0.77 ADCY1 (0.65) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL17717035 0.76 KDM4E (0.65) RAB9AKDM4ELMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF HUTCHINSON FRED CANCER RES (US) 2017-10-26 — — US disclosed
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF HUTCHINSON FRED CANCER RES (US) 2017-10-26 — — US disclosed
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
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-07 — — US disclosed
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-07 — — 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 (4 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 RAB9A 4156/4885NPC1 4797/4885KDM4E 916/4885
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF BLM, DNA2, DCLRE1B RAB9A 2030/4885NPC1 2212/4885KDM4E 2208/4885
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF BLM, DNA2, DCLRE1B RAB9A 2030/4885NPC1 2212/4885KDM4E 2208/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR RAB9A 4156/4885NPC1 4797/4885KDM4E 916/4885

“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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