SCHEMBL3954151

SCHEMBL3954151

CSc1ccc2ccc3ccc(Br)cc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.40
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2A6 P11509 1/20 0.37
AHR P35869 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
MEN1 O00255 1/20 0.34

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
SCHEMBL5751035 0.85 CYP2A6 (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL3556399 0.83 CYP2A6 (0.50) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL12320515 0.82 TYMS (0.44) TYMSNQO2MTNR1AMTNR1BALDH1A1
SCHEMBL29595200 0.79 CYP2A6 (0.52) TYMSALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1569370 0.79 CYP2A6 (0.52) TYMSALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8637909 0.74 AKR1C3 (0.52) TYMSNQO2MTNR1AMTNR1BSLC6A4
SCHEMBL29740644 0.74 AKR1C3 (0.52) TYMSNQO2MTNR1AMTNR1BSLC6A4
SCHEMBL12278775 0.73 CYP1A2 (0.44) TYMSNQO2MTNR1AMTNR1BSLC6A4
SCHEMBL12268990 0.73 ALDH1A1 (0.44) TYMSNQO2MTNR1AMTNR1BALDH1A1
SCHEMBL22652971 0.72 NQO2 (0.39) TYMSNQO2MTNR1AMTNR1BALDH1A1

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-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles MERCK & CO., INC. 2009-11-19 US disclosed
EP-1989187-A4 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO (9,10-D) IMIDAZOLES MERCK FROSST CANADA LTD (CA) 2009-07-08 EP disclosed
EP-1989187-A1 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO (9,10-D) IMIDAZOLES Merck Frosst Canada Ltd. (CA) 2008-11-12 EP disclosed
WO-2007095753-A1 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO [9,10-D] IMIDAZOLES MERCK FROSST CANADA LTD. (CA) 2007-08-30 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-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles PTGES, PTGS1, PTGES2 TYMS 1515/4885NQO2 211/4885MTNR1A 129/4885

“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.