SCHEMBL15972749

SCHEMBL15972749

O=C(OI)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
NAPRT Q6XQN6 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
MPO P05164 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 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
SCHEMBL8383154 0.82 CA1 (0.44) CYP1A2LMNAALDH1A1KMT2AMEN1
SCHEMBL647632 0.80 HSD17B10 (0.64) HSD17B10NAPRTCYP1A2CYP2C19LMNA
SCHEMBL21397880 0.78 HSD17B10 (0.61) HSD17B10NAPRTCYP1A2CYP2C19LMNA
SCHEMBL28358911 0.76 HSD17B10 (0.59) HSD17B10NAPRTCYP1A2CYP2C19LMNA
SCHEMBL27791013 0.76 HSD17B10 (0.59) HSD17B10NAPRTCYP1A2CYP2C19LMNA
SCHEMBL1480310 0.76 HSD17B10 (0.59) HSD17B10NAPRTCYP1A2CYP2C19LMNA
Methyl Isonicotinate SCHEMBL180574 0.76 CYP1A2 (0.60) HSD17B10NAPRTCYP1A2CYP2C19LMNA
Methyl Isonicotinate SCHEMBL820082 0.76 CYP1A2 (0.60) HSD17B10NAPRTCYP1A2CYP2C19LMNA
SCHEMBL1615795 0.76 HSD17B10 (0.59) HSD17B10NAPRTCYP1A2CYP2C19LMNA
SCHEMBL27418916 0.76 HSD17B10 (0.59) HSD17B10NAPRTCYP1A2CYP2C19LMNA

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
US-9695162-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-07-04 US disclosed
US-20170029416-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2017-02-02 US disclosed
US-9475803-B2 Sweet flavor modifier SENOMYX, INC. (US) 2016-10-25 US disclosed
US-20150376176-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2015-12-31 US disclosed
WO-2014130513-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-08-28 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 (2 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-20150376176-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HSD17B10 1454/4885NAPRT 638/4885CYP1A2 4319/4885
US-20170029416-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HSD17B10 1295/4885NAPRT 590/4885CYP1A2 4100/4885

“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.