SCHEMBL5440852

SCHEMBL5440852

O=S(=O)(Cc1cc(Br)c2c(n1)[nH]c1ccccc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
EGFR P00533 2/20 0.39
HTT P42858 2/20 0.39
MCL1 Q07820 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL5447598 0.86 MAPT (0.48) POLBMAPTMEN1KMT2AMCOLN3
SCHEMBL5448780 0.78 CA5A (0.48) POLBMAPTMEN1KMT2AMCOLN3
SCHEMBL5447476 0.77 POLB (0.43) POLBMAPTMEN1KMT2AMCOLN3
SCHEMBL5454350 0.76 POLB (0.41) POLBMAPTMEN1KMT2AMCOLN3
SCHEMBL4960733 0.71 EGFR (0.40) POLBMAPTTDP1EGFR
SCHEMBL20079490 0.70 KDM4E (0.54) POLBMAPTMEN1KMT2ACYP1A2
SCHEMBL5436613 0.69 ALK (0.38) POLB
SCHEMBL5443616 0.69 ALDH1A1 (0.43) POLBMAPTMEN1KMT2ATDP1
SCHEMBL4962614 0.65 CHRM2 (0.40) POLBLMNAEGFR
SCHEMBL5450544 0.65 POLB (0.36) POLBMAPTKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 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-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors CDKL1, CDK1, CCNA1 POLB 323/4885MAPT 2266/4885MEN1 1425/4885

“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.