SCHEMBL2489643

SCHEMBL2489643

CC(C)Oc1c(F)cc(C=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.47
SRC P12931 1/20 0.34
TYR P14679 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD1 P21728 3/20 0.32
TUBB1 Q9H4B7 3/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL12493025 0.86 ALDH1A1 (0.43) ALDH1A3ALDH1A1TUBB1MAPTTSHR
SCHEMBL16057085 0.82 DRD1 (0.44) ALDH1A3SRCALDH1A1SMN1; SMN2DRD1
SCHEMBL7842559 0.78 ALDH1A3 (0.48) ALDH1A3SRCTYRALDH1A1CYP1A2
SCHEMBL2006167 0.78 SRC (0.52) ALDH1A3SRCTYRALDH1A1CYP1A2
SCHEMBL2306018 0.77 TUBB1 (0.47) SRCALDH1A1TUBB1TSHR
SCHEMBL8996034 0.77 ALOX5 (0.49) ALDH1A3ALDH1A1TSHR
SCHEMBL11916153 0.76 RAPGEF4 (0.30)
SCHEMBL2675310 0.76 SRC (0.32) ALDH1A3SRCTYRALDH1A1SMN1; SMN2
SCHEMBL14033967 0.76 ALDH1A3 (0.52) ALDH1A3TYRALDH1A1SMN1; SMN2DRD1
SCHEMBL7842122 0.74 ALDH1A1 (0.50) ALDH1A3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
EP-1756112-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Boehringer Ingelheim International GmbH (DE) 2007-02-28 EP disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
WO-2005111040-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 ALDH1A3 2645/4885SRC 594/4885TYR 96/4885

“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.