SCHEMBL2605976

SCHEMBL2605976

c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ CFTR P13569 1/20 0.33

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
SCHEMBL2605962 0.96 MEN1 (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL12864081 0.95 MEN1 (0.43) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL12864073 0.93 MEN1 (0.42) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL19169584 0.92 KDM4E (0.40) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL20871776 0.92 MEN1 (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL22403499 0.92 MEN1 (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL19169863 0.90 MEN1 (0.38) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL19169649 0.90 KDM4E (0.41) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL20871917 0.90 MEN1 (0.46) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2606089 0.89 MEN1 (0.39) MEN1KMT2AKDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 MEN1 428/4885KMT2A 847/4885KDM4E 1747/4885

“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.

Send feedback