SCHEMBL6204798

SCHEMBL6204798

O=C1CCc2cc(Cl)c([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
PGK1 P00558 1/20 0.38
VCAM1 P19320 6/20 0.38
BAZ1A Q9NRL2 1/20 0.37
HSD17B10 Q99714 2/20 0.37
PBRM1 Q86U86 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL1025369 0.79 ALDH1A1 (0.40) MAPK1TSHRALDH1A1CYP3A4MAPT
SCHEMBL11980460 0.79 BAZ1A (0.37) MAPK1TSHRALDH1A1CYP3A4MAPT
SCHEMBL1090688 0.79 ALDH1A1 (0.51) MAPK1ALDH1A1CYP3A4MAPTBAZ1A
SCHEMBL7894568 0.79 ATM (0.42) MAPK1ALDH1A1CYP3A4MAPTVCAM1
SCHEMBL1994756 0.79 MAPT (0.45) TSHRALDH1A1CYP3A4MAPTBAZ1A
SCHEMBL27087811 0.78 PARP10 (0.50) MAPK1TSHRALDH1A1CYP3A4MAPT
SCHEMBL1512735 0.77 PBRM1 (0.47) MAPK1HSD17B10PBRM1CASP1CASP7
SCHEMBL31591225 0.77 PBRM1 (0.47) MAPK1HSD17B10PBRM1CASP1CASP7
SCHEMBL7162505 0.76 TYMS (0.53) MAPK1ALDH1A1CYP3A4MAPTBAZ1A
SCHEMBL30957320 0.76 PGR (0.42) MAPK1ALDH1A1CYP3A4MAPTVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400561-A1 NOVEL SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-12-05 US disclosed
CN-118251393-A Novel substituted sulfonylurea compounds as inhibitors of interleukin-1 activity 唯久生物技术(苏州)有限公司 2024-06-25 CN disclosed
CN-109956928-B Pyridine compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-09 CN disclosed
EP-1603887-B1 HIV REPLICATION INHIBITING INDANE SUBSTITUTED PYRIMIDINES TIBOTEC PHARM LTD (IE) 2011-04-20 EP disclosed
US-7585870-B2 HIV replication inhibiting pyrimidines and triazines TIBOTEC BVBA (BE) 2009-09-08 US disclosed
US-7442705-B2 HIV replication inhibiting pyrimidines and triazines TIBOTEC PHARMACEUTICALS LTD (IE) 2008-10-28 US disclosed
US-7442705-B2 HIV replication inhibiting pyrimidines and triazines TIBOTEC PHARMACEUTICALS LTD (IE) 2008-10-28 US disclosed
EP-1597238-B1 HIV REPLICATION INHIBITING PYRIMIDINES AND TRIAZINES TIBOTEC PHARM LTD (IE) 2007-05-09 EP disclosed
EP-1098891-B1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2005-08-10 EP disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 US disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed
US-4174397-A TREATMENT OF OBESITY AND LIPID METABOLISM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-13 US disclosed
US-4129656-A Thiazolidine derivatives, salidiuretic compositions and methods of effecting salidiuresis employing them HOECHST AKTIENGESELLSCHAFT (DE) 1978-12-12 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 (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-20240400561-A1 NOVEL SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY IL1B, IL1A, IL18 MAPK1 315/4885TSHR 3751/4885ALDH1A1 762/4885

“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.