SCHEMBL6700485

SCHEMBL6700485

CCOC(=O)C(=Cc1ccc(-c2cccc(-c3cc(C)[nH]c3C)n2)cc1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.49
KMT2A Q03164 11/20 0.49
MAPT P10636 9/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPK1 P28482 1/20 0.46
NR1H4 Q96RI1 1/20 0.42
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSP90AA1 P07900 2/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
GLO1 Q04760 1/20 0.40
HPGD P15428 1/20 0.38

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
SCHEMBL6618754 0.78 RARG (0.37) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL6621300 0.75 RARG (0.56) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6620024 0.74 ABCC4 (0.42) KMT2ALMNAKDM4EHTT
SCHEMBL6620780 0.71 PTGS2 (0.53) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL1068265 0.71 MEN1 (0.85) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6696951 0.71 RAB9A (0.49) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL8577895 0.71 MEN1 (0.84) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6700487 0.70 MEN1 (0.46) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6701105 0.69 ALDH1A1 (0.43) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL935186 0.69 MEN1 (1.00) MEN1KMT2AMAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 US disclosed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP disclosed
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-08-01 US disclosed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US disclosed
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 US disclosed
EP-0946512-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998024766-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1998-06-11 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 (3 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-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 MEN1 3802/4885KMT2A 1122/4885MAPT 734/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 MEN1 3802/4885KMT2A 1122/4885MAPT 734/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 MEN1 3802/4885KMT2A 1122/4885MAPT 734/4885

“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.