SCHEMBL3189362

SCHEMBL3189362

N#CNc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IDO1 P14902 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL8985134 0.86 ALDH1A1 (0.32) MAPTCA1CA2CYP1B1ALDH1A1
SCHEMBL31070132 0.78 CYP1A2 (0.40) SMN1; SMN2
SCHEMBL3083945 0.74 CYP2A6 (0.42) CYP2A6MAPTLMNAMEN1KMT2A
SCHEMBL2836022 0.74 MAPT (0.44) CYP2A6MAPTLMNAMEN1KMT2A
SCHEMBL17107320 0.74 ALDH1A1 (0.38) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL515528 0.74 MEN1 (0.43) CYP2A6MAPTLMNAMEN1KMT2A
SCHEMBL15546400 0.74 CA1 (0.38) IDO1CA1CA2CNR1
SCHEMBL9463504 0.74 CA2 (0.46) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL2197474 0.74 MAPT (0.42) MAPTLMNAMEN1KMT2ANPC1
Water SCHEMBL11606806 0.72 ALDH1A1 (0.45) MAPTLMNAMEN1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575114-B2 SGLT-2 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-05 US disclosed
US-7652062-B2 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH LLC (US) 2010-01-26 US disclosed
CN-101287461-A Use of 5-amido-1h-pyrrole-2-nitrile derivative as progesterone receptor modulators WYETH CORP (US) 2008-10-15 CN disclosed
CN-101233103-A Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH CORP (US) 2008-07-30 CN disclosed
EP-1909785-A2 USE OF PROGESTERONE RECEPTOR MODULATORS Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
EP-1910284-A1 CYANOPYRROLE-PHENYL AMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF Wyeth (US) 2008-04-16 EP disclosed
US-20080064673-A1 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH (US) 2008-03-13 US disclosed
US-7297713-B2 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH (US) 2007-11-20 US disclosed
WO-2007016211-A1 CYANOPYRROLE-PHENYL AMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF WYETH (US) 2007-02-08 WO disclosed
WO-2007016385-A2 USE OF SUBSTITUTED 5-AMINO-1H-PYRROLE-2-CARBONITRILE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2007-02-08 WO disclosed
US-20070027201-A1 Use of progesterone receptor modulators WYETH (US) 2007-02-01 US disclosed
US-20070027125-A1 Cyanopyrrole-phenyl progesterone receptor modulators and uses thereof WYETH (US) 2007-02-01 US disclosed
US-4255565-A REACTION OF 5-AMINO-1-B-D-RIBOFURANOSYL-4-CYANOIMIDAZOLE AND AN N-CARBO-SUBSTITUTED CYANAMIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 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 (3 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-20080064673-A1 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof PGR, GNRHR, PGRMC1 CYP2A6 271/4885MAPT 4465/4885LMNA 4115/4885
US-20070027125-A1 Cyanopyrrole-phenyl progesterone receptor modulators and uses thereof PGR, PGRMC1, PGRMC2 CYP2A6 252/4885MAPT 4574/4885LMNA 4065/4885
US-20070027201-A1 Use of progesterone receptor modulators GNRHR, PGR, FSHR CYP2A6 977/4885MAPT 2474/4885LMNA 1341/4885

“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.