SCHEMBL25986973

SCHEMBL25986973

C=C(CCc1ccccc1)N(C)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MLYCD O95822 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 0.39
NPY5R Q15761 1/20 0.39
KEAP1 Q14145 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
RAB9A P51151 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
SCHEMBL25986850 0.89 KMT2A (0.46) LMNAKMT2AMAOAMAOBMLYCD
SCHEMBL2202823 0.81 KDM4E (0.62) KDM4ELMNAKMT2ACYP1A2CYP3A4
SCHEMBL2201636 0.76 ALOX5 (0.55) KDM4ELMNAKMT2ATDP1MAOB
SCHEMBL2200556 0.75 ALOX5 (0.61) KDM4ELMNAKMT2AMAOBMLYCD
SCHEMBL2201276 0.74 ALOX5 (0.60) KDM4EKMT2AMAOBMLYCDNPY5R
SCHEMBL27337424 0.71 TAAR1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9589232 0.71 TDP1 (0.54) KDM4ELMNAKMT2ACYP1A2CYP3A4
SCHEMBL2202453 0.71 KDM4E (0.54) KDM4ELMNAKMT2AALDH1A1RAB9A
SCHEMBL4064688 0.68 MLYCD (0.67) KDM4ELMNAKMT2AMLYCDALDH1A1
SCHEMBL4075667 0.68 KDM4E (0.50) KDM4ELMNAKMT2ACYP1A2CYP3A4

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-11731946-B2 Broad spectrum antivirulence, anti-persistence compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-08-22 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-11731946-B2 Broad spectrum antivirulence, anti-persistence compounds ME2, ME1, ME3 KDM4E 1362/4885LMNA 4037/4885KMT2A 1458/4885

“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.