SCHEMBL17717103

SCHEMBL17717103

O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc2ncsc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 14/20 0.66
▸ RAB9A P51151 14/20 0.66
▸ LMNA P02545 6/20 0.66
▸ KDM4E B2RXH2 6/20 0.66
▸ SMN1; SMN2 Q16637 6/20 0.66
▸ MAPT P10636 2/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ ALDH1A1 P00352 3/20 0.59
▸ HTT P42858 2/20 0.59
▸ KMT2A Q03164 8/20 0.54
▸ MEN1 O00255 7/20 0.54
▸ POLB P06746 3/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ GFER P55789 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ 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
SCHEMBL16689130 0.86 RAB9A (0.63) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL17716973 0.83 KDM4E (0.67) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL17717067 0.81 NPC1 (0.67) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL17717079 0.80 NPC1 (0.60) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL17717094 0.79 KDM4E (0.67) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL17717014 0.76 NPC1 (0.64) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL17717111 0.74 ADCY1 (0.67) LMNAKDM4ESMN1; SMN2L3MBTL1HTT
SCHEMBL17717112 0.74 HTT (0.59) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL17717101 0.73 MEN1 (0.77) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL17717044 0.71 RAB9A (0.72) NPC1RAB9ALMNAKDM4ESMN1; 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 4156/4885LMNA 1893/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR NPC1 4797/4885RAB9A 4156/4885LMNA 1893/4885

“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.

Send feedback