SCHEMBL531569

SCHEMBL531569

Nc1c(Cl)cc(C(F)(F)F)cc1CI

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GABRA2 P47869 9/20 0.35
▸ GABRB2 P47870 9/20 0.35
▸ GABRB3 P28472 9/20 0.35
▸ GABRP O00591 6/20 0.35
▸ GABRD O14764 6/20 0.35
▸ GABRA1 P14867 6/20 0.35
▸ GABRB1 P18505 6/20 0.35
▸ GABRG2 P18507 6/20 0.35
▸ GABRA5 P31644 6/20 0.35
▸ GABRA3 P34903 6/20 0.35
▸ GABRA4 P48169 6/20 0.35
▸ GABRE P78334 6/20 0.35
▸ GABRA6 Q16445 6/20 0.35
▸ GABRG1 Q8N1C3 6/20 0.35
▸ GABRG3 Q99928 6/20 0.35
▸ GABRQ Q9UN88 6/20 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
SCHEMBL30439201 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBGABRA2
SCHEMBL967220 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBGABRA2
Hydrochloric Acid SCHEMBL29123267 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBGABRA2
SCHEMBL18600038 0.77 GABRP (0.36) ALDH1A1SMN1; SMN2KDM4EPOLBGABRA2
Nitrogen SCHEMBL28714282 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBGABRA2
SCHEMBL978300 0.75 CA1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBGABRA2
SCHEMBL30777281 0.75 CA1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBGABRA2
SCHEMBL18256224 0.74 PDE2A (0.36) ALDH1A1GABRA2GABRB2GABRB3GABRP
SCHEMBL29746198 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBGABRA2
SCHEMBL904486 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBGABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 — — US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 — — US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 — — US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 — — EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 — — EP disclosed
CN-102311401-A CETP INHIBITORS MERCK & CO INC 2012-01-11 — — CN disclosed
CN-102304096-A CETP inhibitors MERCK SHARP & DOHME 2012-01-04 — — CN disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 — — US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 — — US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 — — US disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 — — 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 (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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP ALDH1A1 3887/4885SMN1; SMN2 4859/4885KDM4E 1437/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP ALDH1A1 3887/4885SMN1; SMN2 4859/4885KDM4E 1437/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP ALDH1A1 3887/4885SMN1; SMN2 4859/4885KDM4E 1437/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP ALDH1A1 3887/4885SMN1; SMN2 4859/4885KDM4E 1437/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP ALDH1A1 3887/4885SMN1; SMN2 4859/4885KDM4E 1437/4885

“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.

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