SCHEMBL6697572

SCHEMBL6697572

O=C1Cn2c(cc3ccccc32)C1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
KMT2A Q03164 2/20 0.38
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR1A P08908 1/20 0.36
DAO P14920 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL9259549 0.74 HTR2A (0.44) NOTUMKMT2AHTR2AHTR2CHTR1A
SCHEMBL20777927 0.74 PIM1 (0.39) NOTUMKMT2AHTR2AHTR2CHTR1A
SCHEMBL20777930 0.73 NOTUM (0.39) NOTUMKMT2AHTR2AHTR2CHTR1A
SCHEMBL9387355 0.71 HTR2A (0.41) NOTUMKMT2AHTR2AHTR2CL3MBTL1
SCHEMBL30882129 0.70 NOTUM (0.40) NOTUMKMT2AHTR2AHTR2CHTR1A
SCHEMBL28345272 0.70 NOTUM (0.40) NOTUMKMT2AHTR2AHTR2CHTR1A
SCHEMBL2421457 0.70 KDM4E (0.49) KMT2AHTR2AHTR2CHTR1AKDM4E
SCHEMBL30567378 0.70 KMT2A (0.38) NOTUMKMT2AHTR2AHTR2CDAO
SCHEMBL10761116 0.69 BRD4 (0.44) HTR2AHTR2CKDM4EHPGDHSD17B10
SCHEMBL4135918 0.69 CREBBP (0.46) HTR1AL3MBTL1

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
US-20040006054-A1 Cytotoxic N-unsubstituted indoles and cyclopent(b)indoles and method of making and using same NATIONAL INSTITUTES OF HEALTH 2004-01-08 US disclosed
WO-2001043741-A1 CYTOTOXIC N-UNSUBSTITUTED INDOLES AND CYCLOPENT(B)INDOLES AND METHOD OF MAKING AND USING SAME ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2001-06-21 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 (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-20040006054-A1 Cytotoxic N-unsubstituted indoles and cyclopent(b)indoles and method of making and using same TDO2, MDH2, CYP11B1 NOTUM 1132/4885KMT2A 2511/4885HTR2A 2309/4885

“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.