SCHEMBL2717519

SCHEMBL2717519

O=C(Cl)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.64
BAD Q92934 1/20 0.64
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
PTPN1 P18031 2/20 0.53
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LTA4H P09960 1/20 0.43
PAX8 Q06710 1/20 0.42
TNFRSF1A P19438 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41

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
SCHEMBL1649 0.93 CES2 (0.62) BCL2L1BADCES2CES1PTPN1
Hydrochloric Acid SCHEMBL630595 0.90 CES2 (0.59) BCL2L1BADCES2CES1PTPN1
SCHEMBL727046 0.87 ALDH1A1 (0.52) BCL2L1BADCES2CES1PTPN1
SCHEMBL10670934 0.87 ALDH1A1 (0.52) BCL2L1BADCES2CES1PTPN1
Ethylene SCHEMBL27657103 0.86 CES2 (0.54) BCL2L1BADCES2CES1PTPN1
Water SCHEMBL9342313 0.85 ALDH1A1 (0.50) BCL2L1BADCES2CES1PTPN1
SCHEMBL8700603 0.84 ALDH1A1 (0.53) BCL2L1BADCES2CES1CA1
SCHEMBL5745794 0.82 CES2 (0.50) BCL2L1BADCES2CES1PTPN1
SCHEMBL28447799 0.80 PARP10 (0.48) BCL2L1CES2CES1CA1CA2
SCHEMBL1864175 0.80 BCL2L1 (0.70) BCL2L1BADCES2CES1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087630-A1 INHIBITORS OF AMINO ACID TRANSPORT ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 WO disclosed
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2020-01-28 US disclosed
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2018-07-12 US disclosed
EP-3176171-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-06-07 EP disclosed
EP-2552920-B1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-03-15 EP disclosed
US-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-09-19 US disclosed
EP-2635554-A2 NOVEL NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
WO-2012059443-A2 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-20080058423-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY 2008-03-06 US disclosed
EP-1638544-B1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS UNIV ABERDEEN (GB) 2007-12-05 EP disclosed
EP-1638544-B1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS UNIV ABERDEEN (GB) 2007-12-05 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed
EP-1638544-A2 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS The University Court of The University of Aberdeen (GB) 2006-03-29 EP disclosed
WO-2004098582-A2 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-11-18 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 (5 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-20080058423-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC4R BCL2L1 4791/4885BAD 4418/4885CES2 909/4885
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 BCL2L1 4117/4885BAD 1390/4885CES2 4289/4885
US-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS PRSS12, NLN, MTPN BCL2L1 2097/4885BAD 2537/4885CES2 770/4885
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 BCL2L1 1537/4885BAD 1013/4885CES2 2765/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 BCL2L1 4294/4885BAD 1650/4885CES2 4201/4885

“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.