SCHEMBL4757845

SCHEMBL4757845

CCOC(=O)/C(C#N)=C1/CCN(Cc2ccccc2)CC1(C)c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPT P10636 5/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM5 P41594 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3901219 1.00 MEN1 (0.58) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL4757850 1.00 MEN1 (0.58) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL3909969 0.74 SIGMAR1 (0.49) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL989455 0.74 MEN1 (1.00) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL14046061 0.71 MEN1 (0.91) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL4380505 0.64 CYP3A4 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL25173669 0.64 SIGMAR1 (0.51) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL16579976 0.64 KMT2A (0.78) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL1960484 0.63 CYP3A4 (0.56) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL8971751 0.63 MEN1 (0.70) MEN1KMT2AMAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 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 (2 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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE MEN1 4077/4885KMT2A 4595/4885MAPT 1176/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE MEN1 4077/4885KMT2A 4595/4885MAPT 1176/4885

“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.