SCHEMBL21790791

SCHEMBL21790791

CCCC(C)(C)Nc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
FBP1 P09467 1/20 0.37
IDO1 P14902 1/20 0.37
EGFR P00533 1/20 0.36
HPGD P15428 2/20 0.36
CA12 O43570 1/20 0.36
MMP2 P08253 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TSHR P16473 1/20 0.36
DEPTOR Q8TB45 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL18826800 0.86 MEN1 (0.44) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL9905241 0.81 GAA (0.53) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL23084782 0.81 MAPT (0.48) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL22600368 0.79 GAA (0.46) MEN1KMT2AGAAALDH1A1RAPGEF4
SCHEMBL21790803 0.79 EPHX1 (0.42) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL21799923 0.79 MAPT (0.43) MEN1KMT2AGAAALDH1A1RAPGEF4
SCHEMBL23084860 0.78 KDM4E (0.38) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL1453847 0.77 GAA (0.43) KMT2AGAAALDH1A1NPSR1MAPT
SCHEMBL21790448 0.76 SLC22A12 (0.44) POLBGAAALDH1A1MAPTHPGD
SCHEMBL21790484 0.76 TP53 (0.45) MEN1KMT2AALDH1A1KDM4EHPGD

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-4233859-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF Purdue Research Foundation (US) 2023-08-30 EP disclosed
US-20210070703-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION UNIV DREXEL (US) 2021-03-11 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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 (2 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-20210070703-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION ALKBH5, SULT1A1, SHMT1 MEN1 4626/4885KMT2A 594/4885POLB 248/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 MEN1 3035/4885KMT2A 3443/4885POLB 2240/4885

“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.