SCHEMBL2115313

SCHEMBL2115313

NC(=O)c1nc2c([N+](=O)[O-])cccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.44
PDE10A Q9Y233 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 1/20 0.41
ACP1 P24666 1/20 0.40
GPR35 Q9HC97 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL4306213 0.87 KDM4E (0.45) SLC9A1PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL18487252 0.79 NPC1 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL1011902 0.78 ALDH1A1 (0.53) PDE10ATXNRD1TXNRD3TXNRD2MEN1
SCHEMBL12404118 0.77 PDE10A (0.43) SLC9A1PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL10426653 0.76 PDE10A (0.49) PDE10ATXNRD1TXNRD3TXNRD2NPC1
SCHEMBL18742358 0.76 LIMK1 (0.44) PDE10AMEN1KMT2AKDM4ECYP1A2
SCHEMBL4920165 0.76 ALDH1A1 (0.50) PDE10ATXNRD1TXNRD3TXNRD2NPC1
SCHEMBL1039915 0.76 PDPK1 (0.59) KMT2AKDM4EALDH1A1
SCHEMBL31122218 0.76 PDE10A (0.49) PDE10ATXNRD1TXNRD3TXNRD2NPC1
SCHEMBL15880740 0.75 TDP1 (0.48) PDE10ATXNRD1TXNRD3TXNRD2MEN1

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-9949970-B2 Synthesis of new benzothiazole derivatives as potential anti-tubercular agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-23 US disclosed
US-9273039-B2 Synthesis of new benzothiazole derivatives as potential anti-tubercular agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-01 US disclosed
CN-104628671-A Nitrobenzothiazole carboxylic acid amide compounds containing phenylamidine structures and application FOSHAN SAIWEISI PHARMACEUTICAL TECHNOLOGY CO LTD 2015-05-20 CN disclosed
CN-104628671-A Nitrobenzothiazole carboxylic acid amide compounds containing phenylamidine structures and application FOSHAN SAIWEISI PHARMACEUTICAL TECHNOLOGY CO LTD 2015-05-20 CN disclosed
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 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-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, TBCA, SDHA SLC9A1 4294/4885PDE10A 1992/4885TXNRD1 470/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA SLC9A1 3253/4885PDE10A 3999/4885TXNRD1 336/4885

“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.