SCHEMBL4743465

SCHEMBL4743465

Cc1cc(C)cc(CSc2nc3ccc(Br)cc3c(=O)n2CCCN2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL14093106 0.91 ALDH1A1 (0.46) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL14093129 0.84 ALDH1A1 (0.40) ALDH1A1NPSR1SMN1; SMN2HSD17B10USP2
Morpholine SCHEMBL4743469 0.83 CACNA2D1 (0.43) ALDH1A1KMT2AMEN1HSD17B10USP2
SCHEMBL14093107 0.82 LMNA (0.48) ALDH1A1NPSR1KMT2AMEN1LMNA
SCHEMBL14103484 0.80 ALDH1A1 (0.46) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL9960599 0.78 MAPK1 (0.49) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL14093110 0.77 ALDH1A1 (0.47) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL14093109 0.76 ALDH1A1 (0.46) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL2724274 0.73 ALDH1A1 (0.72) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL9953779 0.72 ALOX15 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008103354-A2 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2008-08-28 WO disclosed
US-20080200461-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. 2008-08-21 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 (1 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-20080200461-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF ACACA, ACAT1, ACACB ALDH1A1 702/4885NPSR1 2526/4885SMN1; SMN2 4840/4885

“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.