SCHEMBL29636844

SCHEMBL29636844

NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
L3MBTL1 Q9Y468 1/20 0.71
GAA P10253 3/20 0.70
KDM4E B2RXH2 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.69
TSHR P16473 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
HTT P42858 1/20 0.69
LMNA P02545 2/20 0.68
HSD17B10 Q99714 2/20 0.67
ALOX12 P18054 1/20 0.65
SRPK1 Q96SB4 1/20 0.65
POLB P06746 1/20 0.63

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
SCHEMBL23406402 1.00 ALDH1A1 (0.77) ALDH1A1L3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL20357282 0.88 ALDH1A1 (0.79) ALDH1A1L3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL9424069 0.87 LMNA (0.71) ALDH1A1L3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL1813423 0.87 ALDH1A1 (1.00) ALDH1A1L3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL1806134 0.84 SMN1; SMN2 (0.80) ALDH1A1L3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL1811373 0.84 ALDH1A1 (0.83) ALDH1A1L3MBTL1GAASMN1; SMN2TSHR
SCHEMBL27073133 0.84 ALDH1A1 (0.72) ALDH1A1L3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL12653715 0.83 ALDH1A1 (0.70) ALDH1A1L3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL13540499 0.82 SRPK1 (0.79) ALDH1A1L3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL1815374 0.82 SMN1; SMN2 (0.80) ALDH1A1L3MBTL1GAAKDM4ESMN1; SMN2

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-20240408105-A1 USE OF SMALL MOLECULE FAK ACTIVATORS TO PROMOTE MUCOSAL HEALING REGENTS OF THE UNIVERSITY OF MINNESOTA 2024-12-12 US disclosed
EP-4232016-A1 USE OF SMALL MOLECULE FAK ACTIVATORS TO PROMOTE MUCOSAL HEALING University Of North Dakota (US) 2023-08-30 EP disclosed
WO-2022093780-A1 USE OF SMALL MOLECULE FAK ACTIVATORS TO PROMOTE MUCOSAL HEALING UNIVERSITY OF NORTH DAKOTA (US) 2022-05-05 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-20240408105-A1 USE OF SMALL MOLECULE FAK ACTIVATORS TO PROMOTE MUCOSAL HEALING PTK2, CTTN, TNK2 ALDH1A1 3500/4885L3MBTL1 3515/4885GAA 3557/4885

“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.