SCHEMBL367845

SCHEMBL367845

Cc1cc(F)c(C(=O)Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.43
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TSHR P16473 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
POLB P06746 2/20 0.34
APEX1 P27695 1/20 0.34
DAO P14920 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL24710385 0.86 ALDH1A1 (0.54) ALDH1A1ALOX15TSHRCES2CES1
SCHEMBL3827978 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15HDAC1HDAC6TSHR
SCHEMBL29476990 0.82 ALDH1A1 (0.39) ALDH1A1ALOX15HDAC1HDAC6CES2
SCHEMBL22468508 0.82 ALDH1A1 (0.39) ALDH1A1ALOX15HDAC1HDAC6CES2
SCHEMBL457385 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRCES2CES1
SCHEMBL29470949 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRCES2CES1
SCHEMBL365017 0.80 KDM4E (0.44) ALDH1A1HDAC1HDAC6KEAP1NFE2L2
SCHEMBL8257796 0.80 TSHR (0.47) ALDH1A1HDAC1HDAC6TSHRCES2
SCHEMBL15385122 0.79 POLB (0.43) ALDH1A1ALOX15HDAC1HDAC6TSHR
SCHEMBL8183434 0.79 KDM4E (0.42) ALDH1A1ALOX15TSHRPOLBAPEX1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685731-B2 Processes of preparing a JAK1 inhibitor INCYTE CORPORATION (US) 2023-06-27 US disclosed
US-9102621-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-11 US disclosed
EP-2593431-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593431-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-22 EP disclosed
US-20130109708-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
WO-2012007869-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-4762844-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0181588-A2 Alkyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-05-21 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-20130109708-A1 Chemical Compounds SCN1A, SCN1B, SCN7A ALDH1A1 1668/4885ALOX15 184/4885HDAC1 828/4885
US-11685731-B2 Processes of preparing a JAK1 inhibitor JAK1, JAK2, JAK3 ALDH1A1 1658/4885ALOX15 1180/4885HDAC1 1225/4885

“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.