SCHEMBL160696

SCHEMBL160696

NC(=O)c1cccc(C(F)(F)F)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PTGS1 P23219 1/20 0.45
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDK2 Q15119 1/20 0.41
CYP3A4 P08684 1/20 0.40
CD38 P28907 1/20 0.40
TAS2R14 Q9NYV8 2/20 0.40
SIRT2 Q8IXJ6 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
SCHEMBL29442193 1.00 PARP1 (0.47) PARP1LMNAGAAPTGS1CTSS
SCHEMBL158167 0.85 G6PD (0.55) LMNAGAAPTGS1ALDH1A1MAPT
SCHEMBL4776527 0.84 PARP1 (0.54) PARP1LMNAGAAPTGS1AURKA
SCHEMBL11631326 0.83 LMNA (0.44) PARP1LMNAGAAPTGS1CTSS
Hydrochloric Acid SCHEMBL11631331 0.83 G6PD (0.53) LMNAGAAPTGS1ALDH1A1MAPT
SCHEMBL11853497 0.83 PTGS1 (0.48) LMNAGAAPTGS1CTSSCTSK
SCHEMBL118007 0.82 LMNA (0.60) PARP1LMNAGAAPTGS1ALDH1A1
SCHEMBL27535691 0.82 LMNA (0.60) PARP1LMNAGAAPTGS1ALDH1A1
SCHEMBL8513460 0.81 PARP1 (0.47) PARP1LMNAGAAPTGS1CTSS
SCHEMBL477444 0.81 KAT6A (0.49) PARP1LMNAGAAPTGS1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040268-B2 Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA, INC. (US) 2015-05-26 US claimed
EP-2758540-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS Coskata Energy Inc. (US) 2014-07-30 EP claimed
CN-103958690-A Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA INC 2014-07-30 CN claimed
WO-2013043513-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-28 WO claimed
US-20130071897-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-21 US claimed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed
WO-2015150366-A1 CYCLICALLY SUBSTITUTED PHENOL ETHER DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO disclosed
WO-2015150366-A1 CYCLICALLY SUBSTITUTED PHENOL ETHER DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO disclosed
US-9040268-B2 Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA, INC. (US) 2015-05-26 US disclosed
CN-103958690-A Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA INC 2014-07-30 CN disclosed
CN-103298805-A Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORP 2013-09-11 CN disclosed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2013043513-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-28 WO disclosed
US-20130071897-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-21 US disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US disclosed
EP-0062321-A2 New cephem compounds, processes for their preparation, pharmaceutical compositions containing them and their starting compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-10-13 EP disclosed
US-4307113-A TREATMENT OF DIABETES SANDOZ, INC. (US) 1981-12-22 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 (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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 PARP1 1231/4885LMNA 2576/4885GAA 1083/4885
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 PARP1 2477/4885LMNA 2074/4885GAA 2618/4885

“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.