SCHEMBL80048

SCHEMBL80048

Cc1cc(C)c(N)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 8/20 0.43
TSHR P16473 4/20 0.43
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.37
RAPGEF4 Q8WZA2 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33

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
Bromide SCHEMBL10915130 0.97 KDM4E (0.43) KDM4EALDH1A1TSHRCYP3A4TDP1
SCHEMBL348577 0.86 MAPT (0.58) KDM4EALDH1A1TSHRCYP3A4TDP1
SCHEMBL6560116 0.83 MAPT (0.55) KDM4EALDH1A1TSHRCYP3A4TDP1
SCHEMBL139002 0.80 ALDH1A1 (0.65) KDM4EALDH1A1TSHRCYP3A4TDP1
SCHEMBL8574705 0.80 MAOB (0.42) KDM4EALDH1A1TSHRCYP3A4TDP1
SCHEMBL109929 0.79 CYP3A4 (0.43) ALDH1A1TSHRCYP3A4TDP1GAA
SCHEMBL1814354 0.79 MAPT (0.43) KDM4EALDH1A1TSHRCYP3A4TDP1
SCHEMBL8132358 0.79 MAPT (0.65) KDM4EALDH1A1TSHRCYP3A4TDP1
SCHEMBL1392743 0.79 ALDH1A1 (0.65) KDM4EALDH1A1TSHRCYP3A4TDP1
Methane SCHEMBL2038793 0.77 ALDH1A1 (0.61) KDM4EALDH1A1TSHRCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
CN-110590642-B Electroluminescent material with indenone as electron acceptor and its application 大连理工大学 2022-06-07 CN claimed
CN-110615783-A Electroluminescent material with pyrazinoindenone as electron acceptor and application thereof 大连理工大学 2019-12-27 CN claimed
CN-110590642-A Electroluminescent material with indenone as electron acceptor and its application 大连理工大学 2019-12-20 CN claimed
EP-1705224-A1 Colored peroxide and polyester formulations Chemtura Corporation (US) 2006-09-27 EP claimed
EP-1381649-B1 COLORED PEROXIDE AND POLYESTER FORMULATIONS CHEMTURA CORP (US) 2006-06-21 EP claimed
EP-1381649-A2 COLORED PEROXIDE AND POLYESTER FORMULATIONS Crompton Corporation (US) 2004-01-21 EP claimed
US-20030027903-A1 Colored peroxide and polyester formulations CROMPTON CORPORATION 2003-02-06 US claimed
WO-2002088249-A2 COLORED PEROXIDE AND POLYESTER FORMULATIONS CROMPTON CORPORATION (US) 2002-11-07 WO claimed
EP-0077501-B1 PROCESS FOR THE PREPARATION OF FLUOROAROMATIC COMPOUNDS SUBSTITUTED IN THE ORTHO POSITION BAYER AG (DE) 1985-05-22 EP claimed
US-4476320-A REACTION OF AN ANILINE TO FORM DIAZONIUM TETRAFLUOROBORATE, DECOMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1984-10-09 US claimed
EP-0077501-A1 Process for the preparation of fluoroaromatic compounds substituted in the ortho position BAYER AG (DE) 1983-04-27 EP claimed
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 US disclosed
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-4083844-A Phenylazo orthocyano phenylazo or orthocyano phenylazo phenylazo containing dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed
US-3978040-A Process for the preparation of cyanoazo compounds by reacting halogenoazo compounds with CuCN in an aqueous media in the presence of a nitrogen base BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed
US-3962209-A PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT KDM4E 2390/4885ALDH1A1 188/4885TSHR 2338/4885
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP KDM4E 3581/4885ALDH1A1 1325/4885TSHR 3407/4885

“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.