SCHEMBL20565356

SCHEMBL20565356

CCCCNc1ccc(OC)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ICMT O60725 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ABL1 P00519 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
MGLL Q99685 1/20 0.41
DHFR P00374 1/20 0.41

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
SCHEMBL12963121 0.90 ICMT (0.45) MEN1MAPTKMT2AICMTTAS1R3
SCHEMBL14059353 0.86 GAA (0.50) MEN1MAPTKMT2AABL1HDAC3
SCHEMBL1239663 0.84 BCL6 (0.45) MEN1MAPTKMT2AICMTTAS1R3
SCHEMBL11935746 0.84 CHRM2 (0.44) MEN1MAPTKMT2AICMTDHFR
Hydrochloric Acid SCHEMBL14999711 0.83 BCL6 (0.44) MEN1MAPTKMT2AICMTTAS1R3
SCHEMBL15934308 0.82 TUBB4A (0.55) HDAC3HDAC2
SCHEMBL482171 0.82 ABL1 (0.41) MEN1MAPTKMT2AABL1HDAC3
SCHEMBL28103035 0.81 HTT (0.52) MEN1MAPTKMT2AABL1HDAC3
SCHEMBL24074629 0.80 ALDH1A1 (0.48) MEN1MAPTKMT2AICMTABL1
SCHEMBL8519906 0.80 ALDH1A1 (0.45) MEN1MAPTKMT2AABL1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
WO-2018213572-A9 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-13 WO disclosed
WO-2018213572-A1 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-11-22 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 (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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 MEN1 296/4885MAPT 1551/4885KMT2A 127/4885

“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.