SCHEMBL4081754

SCHEMBL4081754

Cc1cc(CNCCC(C)C)ccc1-c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GHSR Q92847 1/20 0.41
RORC P51449 4/20 0.41
RORA P35398 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
RORB Q92753 1/20 0.41
KCNH2 Q12809 1/20 0.40
MAPK14 Q16539 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
CYP17A1 P05093 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37

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
Hydrochloric Acid SCHEMBL4083685 0.99 GHSR (0.41) KDM4EALDH1A1LMNAHPGDHTT
Hydrochloric Acid SCHEMBL4559081 0.86 TEAD4 (0.38) LMNAGHSRHDAC1
SCHEMBL4073644 0.73 OPRM1 (0.53) SMN1; SMN2MAPK14ADRB1ADRB3HDAC1
SCHEMBL4256175 0.73 AKT1 (0.38) MAPK14HDAC1
Hydrochloric Acid SCHEMBL4073979 0.72 OPRM1 (0.52) SMN1; SMN2MAPK14ADRB1ADRB3HDAC1
SCHEMBL4071563 0.72 RORC (0.38) RORCRORANR1H2NR1H3RORB
SCHEMBL1347921 0.70 OPRM1 (0.46) HDAC1
SCHEMBL4075641 0.70 OPRM1 (0.52) LMNASMN1; SMN2HDAC1
SCHEMBL13137130 0.70 HTT (0.39) HTTHDAC1
SCHEMBL4661111 0.70 CYP17A1 (0.56) KDM4EALDH1A1LMNAHPGDCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP claimed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO claimed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 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 (1 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 KDM4E 1809/4885ALDH1A1 1390/4885LMNA 3030/4885

“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.