SCHEMBL18985153

SCHEMBL18985153

CCCCCC(CC)CN1C(=O)C2=C(c3ccc(Br)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
TNFRSF1A P19438 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13569619 0.98 KDM4E (0.38) KMT2AKDM4EALDH1A1THRBHPGD
SCHEMBL793158 0.98 ALDH1A1 (0.40) KMT2AKDM4EALDH1A1THRBHPGD
SCHEMBL18066971 0.95 KMT2A (0.39) KMT2AKDM4EALDH1A1THRBHPGD
SCHEMBL23011267 0.95 KDM4E (0.38) KMT2AKDM4EALDH1A1THRBHPGD
SCHEMBL17264084 0.94 KDM4E (0.33) KMT2AKDM4EALDH1A1THRBHPGD
SCHEMBL2457751 0.94 KDM4E (0.33) KMT2AKDM4EALDH1A1THRBHPGD
SCHEMBL20724780 0.93 ALDH1A1 (0.38) KMT2AKDM4EALDH1A1THRBHPGD
SCHEMBL793163 0.93 TNFRSF1A (0.32) KMT2AKDM4EALDH1A1THRBHPGD
SCHEMBL17699198 0.93 TNFRSF1A (0.32) KMT2AKDM4EALDH1A1THRBHPGD
SCHEMBL9891140 0.93 TNFRSF1A (0.32) KMT2AKDM4EALDH1A1THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778570-B1 STRONGLY-POLARIZED MOLECULE, AND SINGLE MOLECULE FIELD EFFECT TRANSISTOR PREPARED THEREFROM UNIV BEIJING (CN) 2023-10-04 EP disclosed
EP-3778570-A1 STRONGLY-POLARIZED MOLECULE, AND SINGLE MOLECULE FIELD EFFECT TRANSISTOR PREPARED THEREFROM Peking University (CN) 2021-02-17 EP disclosed
US-20210024560-A1 STRONGLY POLARIZED MOLECULE, AND SINGLE MOLECULE FIELD EFFECT TRANSISTOR PREPARED THEREFROM PEKING UNIVERSITY (CN) 2021-01-28 US disclosed
WO-2019192395-A1 STRONGLY-POLARIZED MOLECULE, AND SINGLE MOLECULE FIELD EFFECT TRANSISTOR PREPARED THEREFROM 北京大学 2019-10-10 WO disclosed
US-20180371157-A1 THIADIAZOLOPYRIDINE POLYMERS, THEIR SYNTHESIS AND THEIR USE MERCK PATENT GMBH (DE) 2018-12-27 US disclosed
EP-3390496-A1 THIADIAZOLOPYRIDINE POLYMERS, THEIR SYNTHESIS AND THEIR USE Merck Patent GmbH (DE) 2018-10-24 EP disclosed
WO-2017102058-A1 THIADIAZOLOPYRIDINE POLYMERS, THEIR SYNTHESIS AND THEIR USE MERCK PATENT GMBH (DE) 2017-06-22 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-20210024560-A1 STRONGLY POLARIZED MOLECULE, AND SINGLE MOLECULE FIELD EFFECT TRANSISTOR PREPARED THEREFROM CHRM1, CHRM2, CHRM4 KMT2A 3295/4885KDM4E 3862/4885ALDH1A1 3283/4885

“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.