SCHEMBL9616042

SCHEMBL9616042

Cn1c(=O)oc2cc(C(=O)c3cccnc3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
HPGD P15428 1/20 0.72
SIGMAR1 Q99720 1/20 0.49
GLA P06280 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP11B2 P19099 1/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
ASAH1 Q13510 1/20 0.40

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
SCHEMBL14565012 0.84 ALDH1A1 (0.75) ALDH1A1HPGDSIGMAR1GLASMN1; SMN2
SCHEMBL8700563 0.84 ALDH1A1 (1.00) ALDH1A1HPGDSIGMAR1GLASMN1; SMN2
Hydrochloric Acid SCHEMBL9683732 0.83 ALDH1A1 (0.73) ALDH1A1HPGDSIGMAR1GLASMN1; SMN2
SCHEMBL745069 0.78 TNIK (0.57) ALDH1A1HPGDGLASMN1; SMN2PKM
SCHEMBL14565048 0.78 ALDH1A1 (0.77) ALDH1A1HPGDSIGMAR1GLASMN1; SMN2
SCHEMBL14565011 0.77 ALDH1A1 (0.70) ALDH1A1HPGDSIGMAR1GLASMN1; SMN2
SCHEMBL5171751 0.75 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2PKMLMNA
SCHEMBL474056 0.75 ALDH1A1 (0.73) ALDH1A1HPGDSIGMAR1SMN1; SMN2PKM
SCHEMBL9470718 0.75 ALDH1A1 (0.43) ALDH1A1HPGDGLASMN1; SMN2TP53
SCHEMBL9485091 0.75 SIGMAR1 (0.48) ALDH1A1HPGDSIGMAR1GLASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4230272-A None JP disclosed
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 US disclosed
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 US disclosed
US-5147883-A Antiischemic, stroke ADIR ET COMPAGNIE (FR) 1992-09-15 US disclosed
JP-H04230272-A NEW ACYLBENZOXAZOLINONE AND ITS PRODUCTION ADIR 1992-08-19 JP 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-20070054899-A1 Aromatase inhibitor compounds and uses thereof CYP19A1, CYP17A1, HSD17B11 ALDH1A1 207/4885HPGD 155/4885SIGMAR1 3852/4885

“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.