SCHEMBL21943809

SCHEMBL21943809

C=N/C(=C\C=C/C)c1ccc(CNCCNCc2ccc(F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MPO P05164 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ CNR1 P21554 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
SCHEMBL19101609 0.71 TSHR (0.32) L3MBTL1LMNAALDH1A1KDM4ECYP3A4
SCHEMBL26741241 0.70 APP (0.36) ALDH1A1CYP3A4
SCHEMBL20904157 0.69 HTT (0.38) L3MBTL1LMNAALDH1A1CYP2C9MAPT
SCHEMBL24728527 0.68 L3MBTL1 (0.38) L3MBTL1MPOALDH1A1KDM4EHDAC3
SCHEMBL23486953 0.67 MAPK13 (0.42) L3MBTL1LMNAALDH1A1HDAC3HDAC1
SCHEMBL8326406 0.66 CHRM2 (0.66) CHRM2L3MBTL1LMNAMPOALDH1A1
SCHEMBL4599034 0.65 CHRM2 (0.64) CHRM2L3MBTL1LMNAMPOALDH1A1
SCHEMBL8851178 0.65 LMNA (0.67) CHRM2L3MBTL1LMNAMPOALDH1A1
SCHEMBL29337015 0.65 SMN1; SMN2 (0.36) LMNAALDH1A1KDM4EHDAC3HDAC1
SCHEMBL19495183 0.64 GAA (0.40) LMNAALDH1A1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10869866-B2 Benzathine analogs University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-12-22 — — US disclosed
US-20200113900-A1 BENZATHINE ANALOGS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-04-16 — — 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-20200113900-A1 BENZATHINE ANALOGS HDAC10, CFTR, HBB CHRM2 451/4885L3MBTL1 1666/4885LMNA 2851/4885
US-10869866-B2 Benzathine analogs HDAC10, CFTR, HBB CHRM2 451/4885L3MBTL1 1666/4885LMNA 2851/4885

“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.

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