SCHEMBL2952064

SCHEMBL2952064

O=C(O)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
SRD5A2 P31213 1/20 0.54
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
CYP2C8 P10632 1/20 0.54
KIF11 P52732 1/20 0.54
MAP4K4 O95819 1/20 0.53
TP53 P04637 1/20 0.52
PPARA Q07869 1/20 0.52
HTT P42858 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
P4HA1 P13674 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
MCHR1 Q99705 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL2862455 0.90 LDHA (0.65) LDHANPC1RAB9ASMN1; SMN2SRD5A2
SCHEMBL27344645 0.84 KIF11 (0.63) KIF11PPARAMCHR1
SCHEMBL29994366 0.83 MRGPRX4 (0.57) LDHANPC1RAB9ASRD5A2RXRA
SCHEMBL29690424 0.82 KIF11 (0.61) KIF11PPARAMCHR1TRPV1
SCHEMBL28530523 0.82 KIF11 (0.61) KIF11PPARAMCHR1TRPV1
SCHEMBL27702481 0.82 RXFP1 (0.66) LDHANPC1SRD5A2CYP2C8KIF11
SCHEMBL2952112 0.82 LMNA (0.64) NPC1RAB9ASMN1; SMN2KIF11MCHR1
SCHEMBL4469861 0.81 RXRA (0.59) NPC1RAB9ASMN1; SMN2SRD5A2RXRA
SCHEMBL3187929 0.81 KIF11 (0.51) KIF11MAP4K4PPARAMCHR1
SCHEMBL4342508 0.81 KIF11 (0.59) KIF11PPARAMCHR1TRPV1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785707-B1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS BAYER IP GMBH (DE) 2018-01-24 EP disclosed
US-9655887-B2 Pharmaceutical composition and the use thereof, and application regime of said pharmaceutical composition for on-demand contraception BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-23 US disclosed
US-20160089364-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 US disclosed
EP-2999469-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION Bayer Pharma Aktiengesellschaft (DE) 2016-03-30 EP disclosed
US-9062041-B2 2H-indazoles as EP2 receptor antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-23 US disclosed
WO-2014187744-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-11-27 WO disclosed
US-20140336172-A1 Novel 2H-Indazoles as EP2 Receptor Antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-13 US disclosed
EP-2785707-A1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS Bayer Intellectual Property GmbH (DE) 2014-10-08 EP disclosed
WO-2013079425-A1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-06 WO disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
CN-100418965-C Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2008-09-17 CN disclosed
US-20080200494-A1 Imidazopyridine Derivatives MSD K.K. (JP) 2008-08-21 US disclosed
CN-1835950-A Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2006-09-20 CN disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 EP disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (6 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 LDHA 4064/4885NPC1 2540/4885RAB9A 4211/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 LDHA 3848/4885NPC1 2435/4885RAB9A 3769/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 LDHA 4064/4885NPC1 2540/4885RAB9A 4211/4885
US-20080200494-A1 Imidazopyridine Derivatives MC1R, MC3R, MC5R LDHA 2802/4885NPC1 2382/4885RAB9A 1979/4885
US-20160089364-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION PTGER2, PTGER3, PTGER1 LDHA 4623/4885NPC1 3368/4885RAB9A 4408/4885
US-20140336172-A1 Novel 2H-Indazoles as EP2 Receptor Antagonists PTGER2, PTGER1, PTGDR2 LDHA 3961/4885NPC1 1720/4885RAB9A 3106/4885

“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.