SCHEMBL1676284

SCHEMBL1676284

CC(C)(C)c1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.44
RAB9A P51151 1/20 0.44
CRHR2 Q13324 1/20 0.44
NR1H4 Q96RI1 6/20 0.43
EPHX2 P34913 1/20 0.40
CCR9 P51686 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
SRD5A2 P31213 1/20 0.39
ENPP2 Q13822 1/20 0.39
ADCY6 O43306 1/20 0.38
ADCY3 O60266 1/20 0.38
ADCY9 O60503 1/20 0.38
ADCY5 O95622 1/20 0.38
ADCY8 P40145 1/20 0.38
GCGR P47871 1/20 0.38
ADCY7 P51828 1/20 0.38
ADCY2 Q08462 1/20 0.38

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
SCHEMBL1676281 1.00 KDM4E (0.44) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL1481287 0.92 RAB9A (0.44) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL1481289 0.92 RAB9A (0.44) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL1676955 0.91 DRD2 (0.46) KDM4ESMN1; SMN2ADCY6ADCY3ADCY9
SCHEMBL1676952 0.91 DRD2 (0.46) KDM4ESMN1; SMN2ADCY6ADCY3ADCY9
SCHEMBL1481186 0.90 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL1481188 0.90 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL1481662 0.87 KDM4E (0.43) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL1481660 0.87 KDM4E (0.43) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL1482014 0.87 KDM4E (0.45) KDM4ESMN1; SMN2NPC1CRHBPRAB9A

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 4 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
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO 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 4417/4885NPC1 3228/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE KDM4E 733/4885SMN1; SMN2 4417/4885NPC1 3228/4885

“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.