SCHEMBL2656580

SCHEMBL2656580

CN1CCN(Cc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.88
ALDH1A1 P00352 3/20 0.88
TDP1 Q9NUW8 2/20 0.88
POLB P06746 2/20 0.88
SIGMAR1 Q99720 2/20 0.69
CYP2A13 Q16696 1/20 0.66
CHKA P35790 1/20 0.61
MAPT P10636 2/20 0.57
DDR1 Q08345 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RORC P51449 1/20 0.51
HTR6 P50406 1/20 0.51
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL17918745 0.85 ALDH1A1 (0.66) KDM4EALDH1A1TDP1POLBSIGMAR1
SCHEMBL28156384 0.85 SIGMAR1 (0.67) KDM4EALDH1A1TDP1POLBSIGMAR1
SCHEMBL9926517 0.85 ALDH1A1 (0.66) KDM4EALDH1A1TDP1POLBSIGMAR1
SCHEMBL24508364 0.84 KDM4E (0.73) KDM4EALDH1A1TDP1POLBSIGMAR1
SCHEMBL12120512 0.83 ALDH1A1 (0.64) KDM4EALDH1A1TDP1POLBSIGMAR1
SCHEMBL29672011 0.83 ALDH1A1 (0.64) KDM4EALDH1A1TDP1POLBSIGMAR1
SCHEMBL29694119 0.83 ALDH1A1 (0.64) KDM4EALDH1A1TDP1POLBSIGMAR1
SCHEMBL591420 0.83 ALDH1A1 (0.64) KDM4EALDH1A1TDP1POLBSIGMAR1
SCHEMBL23775596 0.83 SIGMAR1 (0.65) KDM4EALDH1A1TDP1POLBSIGMAR1
SCHEMBL18753928 0.83 KDM4E (0.64) KDM4EALDH1A1TDP1POLBSIGMAR1

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
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 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-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR KDM4E 3615/4885ALDH1A1 2652/4885TDP1 3851/4885

“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.