SCHEMBL2226237

SCHEMBL2226237

N#Cc1coc2cc(I)ccc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP2A6 P11509 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
SCHEMBL2224710 0.74 SMN1; SMN2 (0.36) POLBKMT2ATDP1ESR1ESR2
SCHEMBL1998501 0.72 MAOB (0.40) ALDH1A1KMT2ATDP1CYP2A6
SCHEMBL2228567 0.71 POLB (0.30) POLB
SCHEMBL2287604 0.71
SCHEMBL2094158 0.71 ALDH1A1 (0.42) ALDH1A1POLB
SCHEMBL2090479 0.71
Benzene SCHEMBL28051570 0.71 MAOB (0.42) ALDH1A1TDP1
SCHEMBL1995246 0.70 CA1 (0.42) ALDH1A1POLBKMT2ATDP1CYP2A6
SCHEMBL15147232 0.68 ALDH1A1 (0.43) ALDH1A1POLBKMT2ATDP1ESR1
SCHEMBL769392 0.66 MAOB (0.42) ALDH1A1

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-2516445-B1 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON INC (US) 2015-03-11 EP disclosed
US-8765779-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2014-07-01 US disclosed
US-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-22 US disclosed
EP-2516445-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Cephalon, Inc. (US) 2012-10-31 EP disclosed
WO-2011087712-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON, INC. (US) 2011-07-21 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-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP3A43, CYP3A7, CYP2C19 ALDH1A1 705/4885POLB 2037/4885KMT2A 4588/4885

“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.