SCHEMBL17817044

SCHEMBL17817044

COc1cccc2c3c([nH]c12)C(=O)c1ccccc1C3=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 7/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
KDM4E B2RXH2 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
USP2 O75604 1/20 0.51
DUSP3 P51452 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 5/20 0.50
NQO2 P16083 1/20 0.49
POLB P06746 4/20 0.48
LMNA P02545 2/20 0.48
BLM P54132 2/20 0.48
MCL1 Q07820 2/20 0.48
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 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
SCHEMBL17817042 0.82 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8794516 0.75 NQO2 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29035126 0.73 MEN1 (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17817279 0.72 ABCG2 (0.58) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6506256 0.72 KMT2A (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5782542 0.72 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9264626 0.72 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
Benzocarbazoledione SCHEMBL22541347 0.72 MAOA (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL612831 0.72 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13377746 0.71 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 MAPT 4762/4885ALDH1A1 999/4885MEN1 4785/4885

“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.