SCHEMBL25840803

SCHEMBL25840803

Cc1ccc(NC(=O)NCCCP(=O)(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
CNR1 P21554 1/20 0.52
CASR P41180 1/20 0.52
SLC6A3 Q01959 1/20 0.52
RAB9A P51151 5/20 0.48
TP53 P04637 2/20 0.47
EPHX1 P07099 4/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL25840797 0.91 NPC1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25840806 0.84 RECQL (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL12018601 0.81 NPC1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23328446 0.81 MEN1 (0.63) SMN1; SMN2CNR1HTTMEN1KMT2A
SCHEMBL8790471 0.81 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25840785 0.81 NPC1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12994637 0.80 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10192080 0.80 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5667497 0.80 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21504843 0.78 EPHX1 (0.74) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701333-B2 Antibacterial compounds Kent Innovation & Enterprise (GB) 2023-07-18 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-11701333-B2 Antibacterial compounds ARF1, ARL1, TLR1 ALDH1A1 465/4885CYP1A2 586/4885CYP3A4 3096/4885

“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.