SCHEMBL16137403

SCHEMBL16137403

Cc1cccnc1Nc1nc(-c2ccccn2)c(Cl)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.60
KMT2A Q03164 6/20 0.60
MAPT P10636 6/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
KDM4E B2RXH2 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
LMNA P02545 1/20 0.60
HSP90AA1 P07900 1/20 0.60
SLC2A1 P11166 1/20 0.60
AGTR1 P30556 1/20 0.60
OPRK1 P41145 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDR P35968 1/20 0.51
RAB9A P51151 8/20 0.50
MEN1 O00255 5/20 0.50
POLB P06746 3/20 0.46
CASP3 P42574 2/20 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
SCHEMBL16112095 0.85 NPC1 (0.60) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL17485927 0.82 NPC1 (0.57) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL5174953 0.78 KCNN1 (0.61) NPC1KMT2AKDM4ESLC2A1KDR
SCHEMBL16112445 0.76 DHODH (0.54) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL30745670 0.75 NPC1 (1.00) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL16112373 0.75 NPC1 (1.00) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL16137405 0.74 NPC1 (0.47) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL5110748 0.72 KDR (0.48) NPC1KMT2AMAPTNFKB1NFKB2
SCHEMBL1017978 0.71 KMT2A (0.51) NPC1KMT2AMAPTKDM4ELMNA
SCHEMBL15993389 0.70 GRM4 (0.48) NPC1KMT2AMAPTNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-03-05 US disclosed
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-03-05 US disclosed
US-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
WO-2014159938-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2014-10-02 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 (3 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-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS AADAT, ABAT, AASDHPPT NPC1 2775/4885KMT2A 1460/4885MAPT 107/4885
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS ABAT, AADAT, AASDHPPT NPC1 2013/4885KMT2A 2026/4885MAPT 295/4885
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis AADAT, ABAT, AASDHPPT NPC1 2775/4885KMT2A 1460/4885MAPT 107/4885

“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.