SCHEMBL7130655

SCHEMBL7130655

NC(=O)CCc1ccc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.47
MPO P05164 4/20 0.41
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
TSHR P16473 1/20 0.39
RHEB Q15382 1/20 0.36
NAPRT Q6XQN6 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7878183 0.90 MPO (0.42) CAPN1MPOEGFRSRCTSHR
Toluene SCHEMBL27339055 0.88 CAPN1 (0.39) CAPN1EGFRSRCTSHRRHEB
SCHEMBL735832 0.82 TSHR (0.53) TSHRNAPRT
Octadecanoic Acid Amide SCHEMBL28108802 0.80 KDM4E (0.44) KDM4E
SCHEMBL10362176 0.80 ALDH1A1 (0.48) TSHRKDM4E
SCHEMBL7813502 0.80 TSHR (0.39) TSHRNAPRTKDM4E
SCHEMBL9978846 0.79
Hydrochloric Acid SCHEMBL28879620 0.78 GAA (0.38) TSHRNAPRTKDM4E
SCHEMBL11334170 0.77 TSHR (0.37) SRCTSHRNAPRTKDM4E
Monoethanolamine SCHEMBL18979870 0.77 TSHR (0.45) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101538-A1 PROTEIN-PROTEIN INTERACTION MODULATORS OF AURORA KINASE A AND THEIR USE IN THE PREVENTION AND/OR TREATMENT OF CANCER EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2024-03-28 US disclosed
WO-2003045381-A1 AMINOALKYLIMIDAZOLE DERIVATIVES AND THEIR USE IN MEDICINE MOLECULAR SKINCARE LIMITED (GB) 2003-06-05 WO disclosed
EP-0569122-A1 Pyrrole propionic acid amide, its production and use as calpain inhibitor THE KITASATO INSTITUTE (JP) 1993-11-10 EP 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-20240101538-A1 PROTEIN-PROTEIN INTERACTION MODULATORS OF AURORA KINASE A AND THEIR USE IN THE PREVENTION AND/OR TREATMENT OF CANCER AURKC, AURKA, AURKB CAPN1 3230/4885MPO 4883/4885EGFR 1186/4885

“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.