SCHEMBL874833

SCHEMBL874833

NC(=S)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
CES1 P23141 2/20 0.59
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 1/20 0.55
CES2 O00748 1/20 0.52
PLAU P00749 1/20 0.52
SRD5A2 P31213 1/20 0.52
GSK3B P49841 1/20 0.50
NOS1 P29475 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL1976939 0.85 KMT2A (0.57) TSHRLMNAGAACES1CA1
SCHEMBL27483401 0.82 CES1 (0.70) TSHRLMNAGAACES1CA1
Terephthalamide SCHEMBL27950892 0.80 TSHR (1.00) TSHRLMNAGAACES1CA1
SCHEMBL260727 0.80 TSHR (1.00) TSHRLMNAGAACES1CA1
SCHEMBL7520487 0.80 TDP1 (0.65) TSHRLMNAGAACES1CA1
Urea SCHEMBL27805729 0.79 TSHR (0.74) TSHRLMNAGAACES1CA1
4-Nitroaniline SCHEMBL29244703 0.78 ALDH1A1 (0.78) TSHRLMNAGAACES1ALDH1A1
Hydrochloric Acid SCHEMBL11203029 0.78 TSHR (0.96) TSHRLMNAGAACES1CA1
SCHEMBL628983 0.78 TSHR (0.67) TSHRLMNAGAACES1CA1
Potassium Ion SCHEMBL10621944 0.78 CA1 (0.63) TSHRLMNAGAACES1CA1

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107056666-B A kind of organogel compound of 4- nitrobenzenes thiocarbamide and preparation method thereof, gel and application 信阳师范学院 2018-09-14 CN claimed
CN-107056666-A A kind of organogel compound of 4 nitrobenzene thiocarbamide and preparation method thereof, gel and application 信阳师范学院 2017-08-18 CN claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-0755250-A4 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS INC (US) 2000-04-19 EP claimed
EP-0755250-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1997-01-29 EP claimed
WO-1995028153-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1995-10-26 WO claimed
JP-6293746-A None JP disclosed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
CN-117567332-A Method for simultaneously synthesizing thioether compounds and nitrile compounds 石河子大学 2024-02-20 CN disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
CN-116585297-A Application of sulfonamide derivative 云南大学附属医院 2023-08-15 CN disclosed
US-5614520-A 2-arylthiazole derivatives and pharmaceutical composition thereof TEIJIN LIMITED (JP) 1997-03-25 US disclosed
EP-0755250-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1997-01-29 EP disclosed
EP-0513379-B1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1996-09-11 EP disclosed
WO-1995028153-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1995-10-26 WO disclosed
JP-H06293746-A PRODUCTION OF (ALKOXYCYANOPHENYL)THIAZOLE DERIVATIVE TEIJIN LTD 1994-10-21 JP disclosed
EP-0513379-A1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-11-19 EP 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 (1 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-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT TSHR 3541/4885LMNA 2516/4885GAA 1015/4885

“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.