SCHEMBL3149795

SCHEMBL3149795

CC(=C(N)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
BLM P54132 2/20 0.46
RECQL P46063 2/20 0.46
TSHR P16473 2/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
F12 P00748 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
PARP1 P09874 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NOS3 P29474 2/20 0.42

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
SCHEMBL6255440 1.00 ESR1 (0.46) ESR1BLMRECQLTSHRF2
Hydrochloric Acid SCHEMBL7317199 0.97 BLM (0.48) ESR1BLMRECQLTSHRF2
Hydrochloric Acid SCHEMBL7317191 0.97 BLM (0.48) ESR1BLMRECQLTSHRF2
SCHEMBL8994725 0.89 CES2 (0.52) ESR1TSHRPOLBMAPTL3MBTL1
SCHEMBL18721264 0.83 PTGS1 (0.43) ESR1BLMRECQLTSHRF2
SCHEMBL10403430 0.82 BLM (0.44) ESR1BLMRECQLTSHRF2
SCHEMBL12262965 0.81 BLM (0.48) ESR1BLMRECQLTSHRF2
SCHEMBL9248612 0.81 ESR1 (0.48) ESR1BLMRECQLTSHRF2
SCHEMBL140664 0.81 BLM (0.48) ESR1BLMRECQLTSHRF2
SCHEMBL7820108 0.81 ESR1 (0.48) ESR1BLMRECQLTSHRF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611819-B1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND TAKASAGO PERFUMERY CO LTD (JP) 2015-12-16 EP disclosed
US-20130116438-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-09 US disclosed
US-7642357-B2 Iridium complexes TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-01-05 US disclosed
US-20090036696-A1 IRIDIUM COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-02-05 US disclosed
EP-1435355-B1 Stilbeneamine derivatives and electrophotosensitive material using the same KYOCERA MITA CORP (JP) 2006-11-22 EP disclosed
EP-1534239-A2 PREPARATION OF SUBMICRON SIZED PARTICLES WITH POLYMORPH CONTROL AND NEW POLYMORPH OF ITRACONAZOLE BAXTER INTERNATIONAL INC. (US) 2005-06-01 EP disclosed
EP-1243588-B1 Stilbeneamine derivative and electrophotosensitive material using the same KYOCERA MITA CORP (JP) 2004-09-29 EP disclosed
EP-1435355-A1 Stilbeneamine derivative and electrophotosensitive material using the same Kyocera Mita Corporation (JP) 2004-07-07 EP disclosed
WO-2004054500-A2 PREPARATION OF SUBMICRON SIZED PARTICLES WITH POLYMORPH CONTROL AND NEW POLYMORPH OF ITRACONAZOLE BAXTER INTERNATIONAL INC. (US) 2004-07-01 WO disclosed
US-6653034-B2 Stilbeneamine derivative containing thiophene ring (2-thienyl or 3-thienyl) KYOCERA MITA CORPORATION (JP) 2003-11-25 US disclosed
US-20030120088-A1 Optically active azetidincarboxamide-coordinated transition metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-26 US disclosed
EP-1319660-A1 Optically active azetidincarboxamide-coordinated transition metal complexes as catalysts in asymmetric reduction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-18 EP disclosed
US-20030096013-A1 Preparation of submicron sized particles with polymorph control BAXTER INTERNATIONAL INC. 2003-05-22 US disclosed
US-20020172877-A1 Stilbeneamine derivative and electrophotosensitive material using the same KYOCERA MITA CORPORATION (JP) 2002-11-21 US disclosed
EP-1243588-A1 Stilbeneamine derivative and electrophotosensitive material using the same Kyocera Mita Corporation (JP) 2002-09-25 EP 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 (4 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-20090036696-A1 IRIDIUM COMPLEXES HAX1, MLX, H1-0 ESR1 1427/4885BLM 1184/4885RECQL 2249/4885
US-20130116438-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND PPIP5K2, INF2, IMPDH2 ESR1 3282/4885BLM 1644/4885RECQL 546/4885
US-20020172877-A1 Stilbeneamine derivative and electrophotosensitive material using the same TERB1, ARL1, POT1 ESR1 76/4885BLM 948/4885RECQL 465/4885
US-20030120088-A1 Optically active azetidincarboxamide-coordinated transition metal complexes AAAS, AP1M1, AP2A1 ESR1 1915/4885BLM 4134/4885RECQL 1737/4885

“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.