SCHEMBL633116

SCHEMBL633116

Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
TDP1 Q9NUW8 2/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
MAOA P21397 2/20 0.54
MAPT P10636 6/20 0.52
TEAD4 Q15561 1/20 0.52
MAOB P27338 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
NLRP1 Q9C000 1/20 0.50

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
SCHEMBL5073 0.93 TDP1 (0.50) ALDH1A1TDP1CYP3A4TSHRMAOA
Hydrochloric Acid SCHEMBL8756363 0.91 TDP1 (0.48) ALDH1A1TDP1CYP3A4TSHRMAPT
Hydrochloric Acid SCHEMBL3785323 0.91 TDP1 (0.48) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL28780452 0.88 EPHX2 (0.50) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL1242144 0.86 KIF11 (0.52) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL4096194 0.85 ALDH1A1 (0.71) ALDH1A1TDP1CYP3A4TSHRMAOA
Hydrochloric Acid SCHEMBL29386875 0.84 KIF11 (0.50) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL7052774 0.83 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4TSHRMAOA
SCHEMBL13636818 0.81 CYP19A1 (0.48) MAOAMAOB
SCHEMBL2232071 0.81 APP (0.57) ALDH1A1TDP1CYP3A4TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
US-10774050-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2020-09-15 US disclosed
US-10774050-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2020-09-15 US disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2019-01-03 US disclosed
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2019-01-03 US disclosed
US-10059675-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA L.P. (US) 2018-08-28 US disclosed
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 EP disclosed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
WO-2006052499-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2006-05-18 WO disclosed
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials ARRAY BIOPHARMA, INC. 2006-05-04 US disclosed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed
US-4259532-A TRIFLUOROMETHOXYHALOPHENOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-31 US disclosed
US-4192669-A DERIVATIVES OF 2-(4-(4-(TRIFLUOROMETHOXY)-PHENOXY)PHENOXY)AALKANOIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-11 US disclosed
US-3966725-A TREATMENT OF COCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 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 (7 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 ALDH1A1 546/4885TDP1 1829/4885CYP3A4 1598/4885
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers CACNA1A, TRPV1, TRPA1 ALDH1A1 1063/4885TDP1 2195/4885CYP3A4 1406/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 ALDH1A1 302/4885TDP1 519/4885CYP3A4 3020/4885
US-10059675-B2 Pyrimidines as sodium channel blockers P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885TDP1 760/4885CYP3A4 1014/4885
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885TDP1 760/4885CYP3A4 1014/4885
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials SPOUT1, CAPRIN1, FBL ALDH1A1 3391/4885TDP1 1468/4885CYP3A4 3451/4885
US-10774050-B2 Pyrimidines as sodium channel blockers P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885TDP1 760/4885CYP3A4 1014/4885

“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.