SCHEMBL7245676

SCHEMBL7245676

Nc1cc2ccc3ccccc3c2cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 5/20 0.58
HIF1A Q16665 1/20 0.58
CYP1B1 Q16678 1/20 0.58
TRPM4 Q8TD43 1/20 0.52
HPRT1 P00492 2/20 0.52
TSHR P16473 2/20 0.48
CYP2A6 P11509 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
NQO2 P16083 1/20 0.45
CYP1A2 P05177 3/20 0.45
HPGD P15428 3/20 0.45
CYP3A4 P08684 1/20 0.45
KEAP1 Q14145 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL27312853 0.89 HPRT1 (0.63) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL13730705 0.87 ALOX15 (0.44) ALDH1A1HSD17B10HIF1ATRPM4TSHR
SCHEMBL888299 0.83 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL16107521 0.83 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL20735853 0.81 ALDH1A1 (0.73) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL11726972 0.79 TRPM4 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL22142548 0.79 HPRT1 (0.73) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL13730491 0.79 HPRT1 (0.41) ALDH1A1HSD17B10TRPM4HPRT1CTDSP1
SCHEMBL140478 0.78 IDO1 (0.50) ALDH1A1HSD17B10HIF1ATRPM4TSHR
SCHEMBL8006577 0.78 IDO1 (0.50) ALDH1A1HSD17B10HIF1ATRPM4TSHR

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
EP-3512848-B1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2020-11-18 EP disclosed
US-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2019-07-11 US disclosed
US-6528517-B1 Solid phase synthesis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-03-04 US disclosed
WO-1999040093-A2 SYNTHESIS OF QUINOBENZOXAZINE ANALOGUES WITH TOPOISOMERASE II AND QUADRUPLEX INTERACTIONS FOR USE AS ANTINEOPLASTIC AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-08-12 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 (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-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES CYCS, CYP3A4, CYP2E1 ALDH1A1 506/4885HSD17B10 2679/4885HIF1A 4503/4885

“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.