SCHEMBL1757976

SCHEMBL1757976

COc1ccc2[nH]c(C)c(-c3nnc(Cl)c4ccccc34)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
GFER P55789 2/20 0.48
HTR6 P50406 4/20 0.46
HTR7 P34969 3/20 0.46
EIF2AK2 P19525 3/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL1757957 0.85 LMNA (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1757776 0.85 MAP3K14 (0.52) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL1757888 0.83 LMNA (0.56) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1757795 0.82 HTR2A (0.43) KDM4EALDH1A1MAPTHTR6HTR7
SCHEMBL3060285 0.75 CYP17A1 (0.43) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL18019742 0.74 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1758342 0.73 LMNA (0.63) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1396133 0.71 NPSR1 (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31359827 0.71 NPSR1 (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6585632 0.71 PDE4A (0.60) MEN1KMT2AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 MEN1 3026/4885KMT2A 3787/4885KDM4E 4693/4885

“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.