SCHEMBL3182185

SCHEMBL3182185

CC(C)c1cc(Br)ccc1NC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LPAR1 Q92633 1/20 0.38
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 6/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL3183675 0.78 SIGMAR1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL10408259 0.78 GABRA1 (0.42) GABRA1GABRB1LPAR1MAPK1ALDH1A1
SCHEMBL2100737 0.76 STAT3 (0.40) GABRA1GABRB1LPAR1MAPK1ALDH1A1
SCHEMBL3181155 0.74 ALDH1A1 (0.45) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL3185380 0.74 NPC1 (0.42) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL3168174 0.74 MAPK1 (0.42) GABRA1MAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL3182842 0.74 LPAR1 (0.45) LPAR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL3182943 0.74 L3MBTL1 (0.50) GABRA1GABRB1HSP90AA1HSP90AB1CYP1A2
SCHEMBL29542895 0.73 ALDH1A1 (0.55) GABRA1GABRB1LPAR1MAPK1ALDH1A1
SCHEMBL2737246 0.73 L3MBTL1 (0.59) GABRA1GABRB1LPAR1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652062-B2 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH LLC (US) 2010-01-26 US 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
US-20070027125-A1 Cyanopyrrole-phenyl progesterone receptor modulators and uses thereof WYETH (US) 2007-02-01 US disclosed
US-20070027201-A1 Use of progesterone receptor modulators WYETH (US) 2007-02-01 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 GABRA1 447/4885GABRB1 570/4885HSP90AA1 2372/4885
US-20070027125-A1 Cyanopyrrole-phenyl progesterone receptor modulators and uses thereof PGR, PGRMC1, PGRMC2 GABRA1 388/4885GABRB1 467/4885HSP90AA1 2711/4885
US-20070027201-A1 Use of progesterone receptor modulators GNRHR, PGR, FSHR GABRA1 558/4885GABRB1 511/4885HSP90AA1 3262/4885

“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.