SCHEMBL29330574

SCHEMBL29330574

COc1ccc([C@@H](C)N(C)C(=O)CCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALOX5 P09917 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
UTS2R Q9UKP6 3/20 0.43
AOC3 Q16853 1/20 0.43
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
RNF4 P78317 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL21798487 0.80 ALOX5 (0.54) ALDH1A1ALOX5MEN1KMT2ARAB9A
SCHEMBL21798482 0.80 ALOX5 (0.54) ALDH1A1ALOX5MEN1KMT2ARAB9A
SCHEMBL29330571 0.76 MC4R (0.46) ALDH1A1HTTALOX5MEN1KMT2A
SCHEMBL22327660 0.75 ALOX5 (0.49) ALDH1A1HTTALOX5MEN1KMT2A
SCHEMBL29330568 0.75 SLC2A1 (0.46) ALDH1A1HTTSMN1; SMN2ALOX5UTS2R
SCHEMBL9732732 0.73 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2ALOX5RAB9A
SCHEMBL25316112 0.73 ALDH1A1 (0.66) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL29330579 0.73 ALOX5 (0.50) ALDH1A1ALOX5MEN1KMT2AAOC3
SCHEMBL29330577 0.72 ALOX5 (0.49) ALDH1A1HTTSMN1; SMN2ALOX5MEN1
SCHEMBL16291506 0.72 SLC2A1 (0.53) ALDH1A1ALOX5MEN1KMT2ARAB9A

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-12043602-B2 Fendiline derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-23 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-12043602-B2 Fendiline derivatives CYP11B2, CYP3A7, CYP4F2 ALDH1A1 292/4885HTT 2604/4885SMN1; SMN2 3014/4885

“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.