SCHEMBL1676831

SCHEMBL1676831

O=C(O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 4/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
KDR P35968 3/20 0.41
TEK Q02763 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC4 P56524 1/20 0.41
SRD5A2 P31213 1/20 0.38
ENPP2 Q13822 1/20 0.38
ROS1 P08922 1/20 0.37
P4HB P07237 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL1676834 1.00 MARS1 (0.44) MARS1KDM4ENPC1CRHBPRAB9A
SCHEMBL12736654 0.91 KDM4E (0.45) MARS1KDM4ENPC1CRHBPRAB9A
SCHEMBL1676793 0.91 SLC2A1 (0.47) MARS1SMN1; SMN2KDRTEKHDAC6
SCHEMBL1676796 0.91 SLC2A1 (0.47) MARS1SMN1; SMN2KDRTEKHDAC6
SCHEMBL1482017 0.89 KDM4E (0.45) MARS1KDM4ENPC1CRHBPRAB9A
SCHEMBL1482014 0.89 KDM4E (0.45) MARS1KDM4ENPC1CRHBPRAB9A
SCHEMBL1481188 0.88 SMN1; SMN2 (0.47) MARS1KDM4ENPC1CRHBPRAB9A
SCHEMBL1481186 0.88 SMN1; SMN2 (0.47) MARS1KDM4ENPC1CRHBPRAB9A
SCHEMBL1676361 0.88 SMN1; SMN2 (0.43) MARS1KDM4ENPC1CRHBPRAB9A
SCHEMBL1676362 0.88 SMN1; SMN2 (0.43) MARS1KDM4ENPC1CRHBPRAB9A

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
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
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 MARS1 3299/4885KDM4E 733/4885NPC1 3228/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MARS1 3299/4885KDM4E 733/4885NPC1 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.