SCHEMBL1676386

SCHEMBL1676386

CC(C)Sc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SRD5A2 P31213 1/20 0.37
ENPP2 Q13822 1/20 0.37
MARS1 P56192 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
DRD2 P14416 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
POLB P06746 3/20 0.33

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
SCHEMBL1676382 1.00 KDM4E (0.42) KDM4ESMN1; SMN2RAB9ANPC1CRHBP
SCHEMBL1676787 0.91 DRD2 (0.44) DRD2POLBMAPT
SCHEMBL1676786 0.91 DRD2 (0.44) DRD2POLBMAPT
SCHEMBL1481186 0.87 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2RAB9ANPC1CRHBP
SCHEMBL1481188 0.87 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2RAB9ANPC1CRHBP
SCHEMBL1676193 0.87 KDM4E (0.42) KDM4ESMN1; SMN2RAB9ANPC1CRHBP
SCHEMBL1676197 0.87 KDM4E (0.42) KDM4ESMN1; SMN2RAB9ANPC1CRHBP
SCHEMBL1676281 0.86 KDM4E (0.44) KDM4ESMN1; SMN2RAB9ANPC1CRHBP
SCHEMBL1676284 0.86 KDM4E (0.44) KDM4ESMN1; SMN2RAB9ANPC1CRHBP
SCHEMBL1481662 0.85 KDM4E (0.43) KDM4ESMN1; SMN2RAB9ANPC1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE KDM4E 733/4885SMN1; SMN2 4417/4885RAB9A 3396/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE KDM4E 733/4885SMN1; SMN2 4417/4885RAB9A 3396/4885

“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.