SCHEMBL9829474

SCHEMBL9829474

O=C(NNc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.75
GAA P10253 5/20 0.65
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
TDP1 Q9NUW8 2/20 0.65
POLB P06746 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
MAPT P10636 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
ALOX12 P18054 1/20 0.65
LMNA P02545 2/20 0.64
KDM4E B2RXH2 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KCNK3 O14649 1/20 0.60
KCNK9 Q9NPC2 1/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL27389992 0.93 PTGS2 (0.75) PTGS2GAAALDH1A1MEN1KMT2A
SCHEMBL11684110 0.88 MEN1 (0.64) PTGS2GAAALDH1A1MEN1KMT2A
SCHEMBL425101 0.86 PTGS2 (1.00) PTGS2GAAALDH1A1MEN1KMT2A
SCHEMBL9785877 0.85 PTGS2 (0.81) PTGS2GAAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9017504 0.84 PTGS2 (0.96) PTGS2GAAALDH1A1MEN1KMT2A
SCHEMBL4893276 0.83 ALDH1A1 (0.66) PTGS2GAAALDH1A1MEN1KMT2A
SCHEMBL7143357 0.82 GAA (0.65) PTGS2GAAALDH1A1MEN1KMT2A
SCHEMBL4897180 0.81 PTGS2 (0.75) PTGS2GAAALDH1A1MEN1KMT2A
SCHEMBL7040726 0.81 PTGS2 (1.00) PTGS2GAAALDH1A1MEN1KMT2A
SCHEMBL11783307 0.81 PTGS2 (0.86) PTGS2GAAALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431397-B Benzotriazine free radical compound, preparation method thereof and application thereof in organic memristors and artificial synapses ZHENGZHOU UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-119431397-A Benzotriazine free radical compound, preparation method thereof and application thereof in organic memristors and artificial synapses 郑州大学 2025-02-14 CN disclosed
US-9840470-B2 Targeting GLI proteins in human cancer by small molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-12 US disclosed
EP-2734042-B1 TARGETING GLI PROTEINS IN HUMAN CANCER BY SMALL MOLECULES UNIV CALIFORNIA (US) 2017-02-01 EP disclosed
US-9370521-B2 Targeting GLI proteins in human cancer by small molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-21 US disclosed
US-20150361048-A1 Targeting Gli Proteins in Human Cancer by Small Molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-17 US disclosed
US-20140303160-A1 Targeting GLI Proteins in Human Cancer by Small Molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-09 US disclosed
WO-2014116651-A1 TARGETING GLI PROTEINS IN HUMAN CANCER BY SMALL MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-31 WO disclosed
WO-2013013190-A1 TARGETING GLI PROTEINS IN HUMAN CANCER BY SMALL MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-24 WO disclosed
EP-0200736-B1 PYRAZOLE ANALOGS OF MEVALONOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION AND THEIR USE SANDOZ AG (CH) 1991-04-24 EP disclosed
EP-0200736-A1 PYRAZOLE ANALOGS OF MEVALONOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION AND THEIR USE. SANDOZ AG (CH) 1986-11-12 EP disclosed
US-4613610-A TREATING ATHEROSCLEROSIS AND HYPERLIPEMIA SANDOZ PHARMACEUTICALS CORP. (US) 1986-09-23 US disclosed
WO-1986000307-A2 PYRAZOLE ANALOGS OF MEVALONOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION AND THEIR USE SANDOZ AG (CH) 1986-01-16 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-20140303160-A1 Targeting GLI Proteins in Human Cancer by Small Molecules GLI2, GLI1, MYC PTGS2 2872/4885GAA 2275/4885ALDH1A1 2881/4885
US-20150361048-A1 Targeting Gli Proteins in Human Cancer by Small Molecules GLI2, GLI1, MYC PTGS2 2872/4885GAA 2275/4885ALDH1A1 2881/4885

“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.