SCHEMBL3380756

SCHEMBL3380756

Nc1ccccc1C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL2582219 0.83 MEN1 (0.52) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL12724449 0.83 MEN1 (0.53) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL17875392 0.78 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL2200522 0.78 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL2800809 0.76 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL2729599 0.76 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL3871150 0.76 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL29380196 0.76 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL8994564 0.75 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1GLAPOLBGAA
SCHEMBL29882203 0.75 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1GLAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106589364-A Polyaniline nano fiber and preparation method thereof 中国电子科技集团公司第二十六研究所 2017-04-26 CN claimed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US claimed
EP-3567035-A1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2019-11-13 EP disclosed
CN-106589364-A Polyaniline nano fiber and preparation method thereof 中国电子科技集团公司第二十六研究所 2017-04-26 CN disclosed
CN-106589364-A Polyaniline nano fiber and preparation method thereof 中国电子科技集团公司第二十六研究所 2017-04-26 CN disclosed
EP-3088397-A1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2016-11-02 EP disclosed
EP-2716351-B1 GAS SEPARATION MEMBRANE CENTRAL GLASS CO LTD (JP) 2016-06-29 EP disclosed
CN-102320998-B Phthalic diamide compounds containing 2'-hydroxy hexafluoro isopropyl group and application thereof UNIV EAST CHINA SCIENCE & TECH 2014-08-20 CN disclosed
EP-2748280-A1 PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2014-07-02 EP disclosed
WO-2013026691-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2013-02-28 WO disclosed
WO-2010063802-A1 3, 4-DI-SUBSTITUTED CYCLOBUTENE- 1, 2 -DIONES AS CXCR2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-06-10 WO disclosed
EP-1531824-A2 CYCLOTHIOCARBAMATIVE DERIVATIVES AS PR MODULATORS AND USE THEREOF FOR TREATMENT OF SKIN DISORDERS Wyeth (US) 2005-05-25 EP disclosed
US-20050101568-A1 Methods and compositions for selectin inhibition WYETH (US) 2005-05-12 US disclosed
CN-1608069-A Fused heterocyclic succinimide compounds and analogs thereof that modulate nuclear hormone receptor function BRISTOL MYERS SQUIBB CO (US) 2005-04-20 CN disclosed
CN-1589271-A Fused heterocyclic succinimide compounds and analogs thereof as modulators of nuclear hormone receptor function BRISTOL MYERS SQUIBB CO (US) 2005-03-02 CN disclosed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP disclosed
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders WYETH 2004-01-22 US disclosed
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives WYETH 2004-01-08 US disclosed
WO-2004000230-A2 CYCLOTHIOCARBAMATIVE DERIVATIVES AS PR MODULATORS AND USE THEREOF FOR TREATMENT OF SKIN DISORDERS WYETH (US) 2003-12-31 WO disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 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 (4 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-20050101568-A1 Methods and compositions for selectin inhibition SELP, SELE, SELL SMN1; SMN2 2880/4885MEN1 4598/4885KMT2A 4568/4885
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives ESRRA, GNRHR, ESRRG SMN1; SMN2 4163/4885MEN1 402/4885KMT2A 1777/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 SMN1; SMN2 4405/4885MEN1 1177/4885KMT2A 432/4885
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders NR5A1, MC1R, CYP17A1 SMN1; SMN2 4857/4885MEN1 3679/4885KMT2A 3421/4885

“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.