SCHEMBL2000463

SCHEMBL2000463

Nc1c(Cl)cc(SC(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.36
KCNH2 Q12809 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
LMNA P02545 3/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN1 P18031 1/20 0.32
PTPRZ1 P23471 1/20 0.32
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL26962919 0.86 CA1 (0.42) ALDH1A1KDM4ETDP1CYP3A4GAA
SCHEMBL696891 0.83 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1CYP3A4CA1
SCHEMBL699094 0.83 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1CYP3A4CA1
SCHEMBL27863787 0.81 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1CYP3A4KCNH2
SCHEMBL697758 0.79 ALDH1A1 (0.38) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL698075 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL15947450 0.78 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1CYP3A4GAA
SCHEMBL10804924 0.77 HSD17B10 (0.44) ALDH1A1KDM4ETDP1CYP3A4KCNH2
SCHEMBL3628365 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1CYP3A4GAA
SCHEMBL30599573 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 EP disclosed
US-8084486-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-12-27 US disclosed
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2011-08-11 US disclosed
US-7960426-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-06-14 US disclosed
US-7902232-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-03-08 US disclosed
US-7803832-B2 N-(1-arylpyrazol-4L)sulfonamides and their use as parasiticides PFIZER INC. (US) 2010-09-28 US disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
US-7687533-B2 N-(1-arylpyrazol-4l) sulfonamides and their use as parasiticides PFIZER INC. (US) 2010-03-30 US disclosed
US-4771048-A VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 US disclosed
US-4766144-A 3-carbamoyl-4-hydroxy-coumarins for combating parasitic heiminths BAYER AKTIENGESELLSCHAFT (DE) 1988-08-23 US disclosed
US-4734122-A Substituted 5-acylamino-1-phenylpyrazoles composition containing them, and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed
EP-0241834-A2 Use of 3-carbamoyl-4-hydroxy-cumarines in combating parasiticidal helminths, 3-carbamoyl-4-hydroxy-cumarines and their preparation BAYER AG (DE) 1987-10-21 EP disclosed
EP-0234119-A1 Pesticidal method using N-phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1987-09-02 EP disclosed
EP-0231512-A1 Cyclic malonylphosphonic acid diamides, process for their preparation and their use for pestcontrol BAYER AG (DE) 1987-08-12 EP disclosed
WO-1987003781-A1 PESTICIDAL METHOD USING N-PHENYLPYRAZOLES MAY & BAKER LIMITED (GB) 1987-07-02 WO disclosed
US-4668280-A Herbicidally active substituted 5-acylamino-1-phenylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
EP-0171544-A1 Substituted 5-acylamino-1-phenylpyrazoles BAYER AG (DE) 1986-02-19 EP disclosed
EP-0138149-A2 5-Acylamino-1-phenyl pyrazoles BAYER AG (DE) 1985-04-24 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 (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-20100197634-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 ALDH1A1 3244/4885KDM4E 653/4885TDP1 1401/4885
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 ALDH1A1 963/4885KDM4E 966/4885TDP1 3276/4885

“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.