SCHEMBL18328191

SCHEMBL18328191

O=C(NCCCl)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
EPHX2 P34913 1/20 0.53
FABP7 O15540 2/20 0.46
FABP5 Q01469 2/20 0.46
CASP3 P42574 2/20 0.45

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
SCHEMBL28812540 0.92 KMT2A (0.70) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL16790448 0.89 KMT2A (0.63) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL21525041 0.88 KMT2A (0.61) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL793384 0.87 KMT2A (0.85) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL28617673 0.87 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL163534 0.87 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL4741668 0.86 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29404046 0.86 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL30275540 0.86 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL1157227 0.85 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3

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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
WO-2016202894-A1 METHOD OF CONVERTING ALCOHOL TO HALIDE UNIVERSITAET DES SAARLANDES (DE) 2016-12-22 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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 KMT2A 4193/4885EPHX2 2557/4885FABP7 233/4885

“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.