SCHEMBL25818531

SCHEMBL25818531

COc1cccc2ccn(C(=O)C(C)N(C)C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.42
SLC22A12 Q96S37 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
CCR2 P41597 1/20 0.33
MEN1 O00255 2/20 0.33
NOTUM Q6P988 1/20 0.33
PPARG P37231 1/20 0.32

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
SCHEMBL24109801 1.00 FABP4 (0.42) FABP4SLC22A12CA12CA1CA2
SCHEMBL24109948 1.00 FABP4 (0.42) FABP4SLC22A12CA12CA1CA2
SCHEMBL24110381 0.84 NTRK1 (0.33) SLC22A12KMT2AALDH1A1LMNAMEN1
SCHEMBL24109791 0.84 NTRK1 (0.33) SLC22A12KMT2AALDH1A1LMNAMEN1
SCHEMBL24109794 0.84 NTRK1 (0.33) SLC22A12KMT2AALDH1A1LMNAMEN1
SCHEMBL24110494 0.81 FABP4 (0.38) FABP4KMT2AMEN1NOTUM
SCHEMBL24110378 0.81 FABP4 (0.38) FABP4KMT2AMEN1NOTUM
SCHEMBL24110356 0.81 FABP4 (0.38) FABP4KMT2AMEN1NOTUM
SCHEMBL30826403 0.78 NOTUM (0.50) FABP4SLC22A12CA12CA1CA2
SCHEMBL29187805 0.78 NOTUM (0.50) FABP4SLC22A12CA12CA1CA2

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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT FABP4 752/4885SLC22A12 3593/4885CA12 3689/4885

“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.