SCHEMBL707416

SCHEMBL707416

O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 3/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GPR35 Q9HC97 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL12953342 0.88 MAPT (0.48) SMN1; SMN2TP53MAPK1ALDH1A1GPR35
SCHEMBL11825523 0.87 GPR35 (0.51) SMN1; SMN2TP53MAPK1ALDH1A1GPR35
SCHEMBL31237064 0.81 ALDH1A1 (0.53) SMN1; SMN2TP53ALDH1A1CA1MAPT
SCHEMBL1275648 0.81 ALDH1A1 (0.53) SMN1; SMN2TP53ALDH1A1CA1MAPT
SCHEMBL4351078 0.81 MEN1 (0.67) SMN1; SMN2TP53MAPK1ALDH1A1MAPT
SCHEMBL9369652 0.81 GPR35 (0.50) SMN1; SMN2TP53MAPK1ALDH1A1GPR35
SCHEMBL1581489 0.80 GPR35 (0.60) SMN1; SMN2TP53MAPK1ALDH1A1GPR35
SCHEMBL2540815 0.80 ALDH1A1 (0.50) SMN1; SMN2TP53MAPK1ALDH1A1HPGD
SCHEMBL3495810 0.80 PARP1 (0.45) SMN1; SMN2TP53MAPK1ALDH1A1HPGD
SCHEMBL203169 0.80 MAPT (0.53) SMN1; SMN2TP53ALDH1A1HPGDTSHR

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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
US-20220289673-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY 2022-09-15 US disclosed
WO-2021021951-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY (US) 2021-02-04 WO disclosed
EP-3197900-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-02-12 EP disclosed
US-9969752-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-9862730-B2 Imidazothiadiazole derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-09 US disclosed
US-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-17 US disclosed
EP-3197900-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 EP disclosed
EP-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 EP disclosed
EP-2847200-B1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
WO-1998024445-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SCHIZOPHRENIC DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998024447-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING COGNITIVE DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998024439-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SEVERE ANXIETY DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998024442-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SEXUAL DYSFUNCTION MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998024443-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING BIPOLAR DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998024446-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MOVEMENT DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
EP-0365915-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1994-04-20 EP disclosed
US-4956370-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
EP-0368008-A1 Fluorine-containing phenols BAYER AG (DE) 1990-05-16 EP disclosed
EP-0365915-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP 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 (3 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-20220289673-A1 WDR5-MYC INHIBITORS MYC, WDR5, MYCBP SMN1; SMN2 2143/4885TP53 142/4885MAPK1 1530/4885
US-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 SMN1; SMN2 3682/4885TP53 2925/4885MAPK1 1944/4885
US-12398097-B2 WDR5-MYC inhibitors MYC, WDR5, MYCBP SMN1; SMN2 2143/4885TP53 142/4885MAPK1 1530/4885

“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.