SCHEMBL21790803

SCHEMBL21790803

CCCC(C)(C)Nc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.42
ANO1 Q5XXA6 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 1/20 0.40
POLB P06746 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL18826816 0.86 EPHX1 (0.44) EPHX1MAPTMEN1LMNAHTT
SCHEMBL632106 0.81 MAPT (0.48) MAPTMEN1LMNAHTTKMT2A
SCHEMBL23084782 0.81 MAPT (0.48) MAPTMEN1HTTKMT2AALDH1A1
SCHEMBL22600030 0.80 EPHX1 (0.47) EPHX1MAPTMEN1LMNAHTT
SCHEMBL21799923 0.79 MAPT (0.43) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL21790791 0.79 MEN1 (0.42) MAPTMEN1KMT2AALDH1A1EGFR
SCHEMBL22600368 0.79 GAA (0.46) MAPTMEN1KMT2AALDH1A1EGFR
SCHEMBL21790575 0.78 MEN1 (0.53) MEN1LMNAKMT2APOLBSMN1; SMN2
SCHEMBL1453847 0.77 GAA (0.43) MAPTLMNAKMT2AALDH1A1
SCHEMBL21790484 0.76 TP53 (0.45) MEN1LMNAHTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 EPHX1 421/4885ANO1 2949/4885MAPT 4163/4885

“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.