SCHEMBL4647237

SCHEMBL4647237

Cc1cc(OCc2ccccc2)c([N+](=O)[O-])cc1Br

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
CYP19A1 P11511 4/20 0.44
ABCB1 P08183 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
PIN1 Q13526 2/20 0.43

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
SCHEMBL9313845 0.84 CTSV (0.50) POLBMAPTMEN1KMT2ACTSV
SCHEMBL8009518 0.83 MAPT (0.52) POLBMAPTMEN1KMT2ACTSV
SCHEMBL7116860 0.82 POLB (0.56) POLBMAPTMEN1KMT2ACTSV
SCHEMBL14484687 0.82 MAPT (0.51) POLBMAPTMEN1KMT2ACTSV
SCHEMBL2722340 0.82 CTSV (0.60) POLBMAPTMEN1KMT2ACTSV
SCHEMBL29894258 0.81 POLB (0.51) POLBMAPTMEN1KMT2ACTSV
SCHEMBL15984738 0.81 POLB (0.48) POLBMAPTMEN1KMT2ACTSV
SCHEMBL18863840 0.81 POLB (0.51) POLBMAPTMEN1KMT2ACTSV
SCHEMBL30381370 0.80 POLB (0.49) POLBMAPTMEN1KMT2ACTSV
SCHEMBL29502869 0.79 ALDH1A1 (0.62) POLBMAPTMEN1KMT2ACTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947206-B2 cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1960377-A1 l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS Novartis AG (CH) 2008-08-27 EP disclosed
WO-2007067614-A1 l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS NOVARTIS AG (CH) 2007-06-14 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 (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-10947206-B2 cGAS antagonist compounds CGAS, STING1, GLS2 POLB 533/4885MAPT 4349/4885MEN1 2139/4885
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 POLB 3613/4885MAPT 4072/4885MEN1 4447/4885

“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.