SCHEMBL5872359

SCHEMBL5872359

Cc1c2ccccc2c(CCl)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 4/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL19065035 0.87 L3MBTL1 (0.50) L3MBTL1CYP1A2CYP3A4SMN1; SMN2TP53
SCHEMBL29367505 0.87 L3MBTL1 (0.67) L3MBTL1CYP1A2ALDH1A1HSD17B10KDM4E
SCHEMBL187486 0.87 L3MBTL1 (0.67) L3MBTL1CYP1A2ALDH1A1HSD17B10KDM4E
SCHEMBL10902901 0.86 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP3A4SMN1; SMN2TP53
SCHEMBL7877699 0.80 L3MBTL1 (0.54) L3MBTL1CYP1A2SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL19065044 0.79 L3MBTL1 (0.65) L3MBTL1CYP1A2CYP3A4SMN1; SMN2TP53
SCHEMBL7869241 0.78 L3MBTL1 (0.52) L3MBTL1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL11310638 0.78 L3MBTL1 (0.52) L3MBTL1CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL29379467 0.78 CYP1A2 (0.56) L3MBTL1CYP1A2CYP3A4SMN1; SMN2TP53
SCHEMBL377040 0.78 CYP1A2 (0.56) L3MBTL1CYP1A2CYP3A4SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates G.D. SEARLE & CO. (US) 2006-11-30 US disclosed
US-7060851-B2 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2006-06-13 US disclosed
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2005-06-16 US disclosed
US-6849760-B2 Method of preparing retroviral protease inhibitor intermediates G. D. SEARLE & CO. (US) 2005-02-01 US disclosed
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. 2003-09-11 US disclosed
US-6515162-B2 Precipitating or crystallizing a salt from solution; suitable as intermediates for large scale production of enzyme inhibitors, e.g. hydroxyethylamine, hydroxyethylurea and hydroxyethylsulfonamide G.D. SEARLE & CO. 2003-02-04 US disclosed
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates NG JOHN S (US) 2001-11-29 US disclosed
EP-0804410-B1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES SEARLE & CO (US) 2001-08-29 EP disclosed
US-6201150-B1 DIASTEREOMER PURIFICATION METHOD COMPRISING PREPARING AN ORGANIC ACID OR INORGANIC ACID SALT OF AN AMINO COMPOUND AND PRECIPITATING OR CRYSTALLIZING SAID SALT FROM A SOLUTION G.D. SEARLE & CO. 2001-03-13 US disclosed
US-5831117-A ACID SALTS G. D. SEARLE & CO. (US) 1998-11-03 US disclosed
EP-0804410-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
US-4629821-A CONTAINING LEPIDOTERENE DYE POLAROID CORPORATION (US) 1986-12-16 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 (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-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates ACE, REN, MME L3MBTL1 2521/4885CYP1A2 2878/4885CYP3A4 1201/4885
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME L3MBTL1 2802/4885CYP1A2 2469/4885CYP3A4 954/4885
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME L3MBTL1 2802/4885CYP1A2 2469/4885CYP3A4 954/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME L3MBTL1 2853/4885CYP1A2 2394/4885CYP3A4 955/4885

“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.