SCHEMBL5872355

SCHEMBL5872355

[CH2]c1c2ccccc2c(CCl)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
MEN1 O00255 1/20 0.30
TNNI3 P19429 1/20 0.30
TNNT2 P45379 1/20 0.30
TNNC1 P63316 1/20 0.30

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
SCHEMBL29367505 0.87 L3MBTL1 (0.67) L3MBTL1KMT2ACYP1A2CYP2A6MEN1
SCHEMBL187486 0.87 L3MBTL1 (0.67) L3MBTL1KMT2ACYP1A2CYP2A6MEN1
SCHEMBL2522239 0.78 ALDH1A1 (0.41) KMT2ACYP1A2CYP2A6MEN1
SCHEMBL10405240 0.77 L3MBTL1 (0.56) L3MBTL1KMT2ACYP1A2CYP2A6MEN1
SCHEMBL7877699 0.75 L3MBTL1 (0.54) L3MBTL1KMT2ACYP1A2CYP2A6
SCHEMBL15721675 0.75 HTR2A (0.54) L3MBTL1KMT2ACYP1A2CYP2A6
SCHEMBL5872359 0.75 L3MBTL1 (0.54) L3MBTL1KMT2ACYP1A2CYP2A6MEN1
SCHEMBL7869241 0.73 L3MBTL1 (0.52) L3MBTL1KMT2A
SCHEMBL19065035 0.72 L3MBTL1 (0.50) L3MBTL1KMT2ACYP1A2CYP2A6MEN1
SCHEMBL9782886 0.71 L3MBTL1 (0.50) L3MBTL1KMT2AMEN1

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 12 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

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 2521/4885KMT2A 1425/4885CYP1A2 2878/4885
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME L3MBTL1 2802/4885KMT2A 1342/4885CYP1A2 2469/4885
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME L3MBTL1 2802/4885KMT2A 1342/4885CYP1A2 2469/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME L3MBTL1 2853/4885KMT2A 1286/4885CYP1A2 2394/4885

“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.