SCHEMBL20161049

SCHEMBL20161049

Clc1ccc(-c2c(-c3ccc(-n4c5ccccc5c5c6ccccc6oc54)cc3)c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c(-c3ccccc3)c(-c3ccccc3)c2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TNKS O95271 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MDM2 Q00987 2/20 0.34
KMT2A Q03164 2/20 0.33
AHR P35869 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.33
RET P07949 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
BRCA1 P38398 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MDM4 O15151 1/20 0.32

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
SCHEMBL17229143 0.89 L3MBTL1 (0.39) CA1CA2TNKSKDM4EKMT2A
SCHEMBL23310138 0.86 CA9 (0.41) CA1CA2TNKSKDM4EAHR
SCHEMBL24639201 0.83 KDM4E (0.40) CA1CA2TNKSKDM4EKMT2A
SCHEMBL23310227 0.82 L3MBTL1 (0.38) TNKSKDM4EKMT2AAHRCA9
SCHEMBL23310133 0.82 L3MBTL1 (0.38) TNKSKDM4EKMT2AAHRCYP1A2
SCHEMBL23310068 0.82 AHR (0.40) CA1CA2TNKSKMT2AAHR
SCHEMBL23310149 0.82 TNKS (0.40) CA1CA2TNKSKDM4EKMT2A
SCHEMBL22143417 0.82 ADORA2A (0.34)
SCHEMBL20161170 0.82 LIPG (0.45)
SCHEMBL24639702 0.81 PLA2G2A (0.39) CA1CA2TNKSKDM4EKMT2A

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
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
EP-4271163-A2 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP Merck Patent GmbH (DE) 2023-11-01 EP disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2020-06-25 US disclosed
WO-2018087346-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2018-05-17 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 (3 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-11711976-B2 Compounds with an acceptor and a donor group NQO1, ICMT, NUDT1 CA1 4761/4885CA2 4739/4885TNKS 1433/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 CA1 4761/4885CA2 4739/4885TNKS 1433/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 CA1 4761/4885CA2 4739/4885TNKS 1433/4885

“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.