SCHEMBL30525835

SCHEMBL30525835

N=C(Cl)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.48
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA1 P00915 1/20 0.48
HMGB1 P09429 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HSD17B10 Q99714 7/20 0.46
MAPT P10636 4/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 4/20 0.45

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
SCHEMBL4711338 1.00 HPGD (0.48) HPGDALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL9126701 0.83 ALDH1A1 (0.40) HPGDALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL9130593 0.78 HPGD (0.52) HPGDALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL10736476 0.78 HPGD (0.56) HPGDALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL9957714 0.77 TRPA1 (0.48) HPGDALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL2928032 0.77 HSD17B14 (0.38) HPGDALDH1A1CA2CA1CA6
SCHEMBL8346552 0.76 HPGD (0.50) HPGDALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL1442968 0.74 KDM4E (0.61) HPGDALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL652876 0.74 KDM4E (0.58) HPGDALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL11171413 0.74 HPGD (0.48) HPGDALDH1A1KDM4ESMN1; SMN2CA12

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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 HPGD 3294/4885ALDH1A1 968/4885KDM4E 2487/4885

“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.