SCHEMBL17717014

SCHEMBL17717014

O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc2ncsc2c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 13/20 0.64
▸ RAB9A P51151 13/20 0.64
▸ KDM4E B2RXH2 5/20 0.64
▸ LMNA P02545 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ MAPT P10636 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ GFER P55789 1/20 0.50
▸ MEN1 O00255 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ POLB P06746 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KLK7 P49862 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL17717044 0.83 RAB9A (0.72) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL17717118 0.79 ADCY1 (0.62) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL17717094 0.78 KDM4E (0.67) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL17716973 0.78 KDM4E (0.67) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL17717119 0.77 KDM4E (0.67) KDM4ELMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL17717079 0.76 NPC1 (0.60) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL16689130 0.76 RAB9A (0.63) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL17717103 0.76 NPC1 (0.66) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL38664105 0.76 ACHE (0.60) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL17717039 0.76 KDM4E (0.71) NPC1RAB9AKDM4ELMNASMN1; SMN2

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 4156/4885KDM4E 916/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR NPC1 4797/4885RAB9A 4156/4885KDM4E 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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