SCHEMBL634147

SCHEMBL634147

CCC(C(=O)O)c1nc2c(C)cccc2cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 4/20 0.38
MAPT P10636 4/20 0.37
HSD17B10 Q99714 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
PABPC1 P11940 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
CRHBP P24387 1/20 0.37
GFER P55789 1/20 0.37
CRHR2 Q13324 1/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 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
SCHEMBL4512472 0.80 NPC1 (0.43) KDM4ELMNAALDH1A1KMT2AMEN1
SCHEMBL29058294 0.75 ALDH1A1 (0.52) KDM4EHTTLMNAMAPTHSD17B10
SCHEMBL2804814 0.74 KDM4E (0.45) KDM4EHTTLMNAATMMAPT
SCHEMBL634256 0.73 SMN1; SMN2 (0.44) KDM4EHTTLMNAMAPTHSD17B10
SCHEMBL2312441 0.73 MAPT (0.51) KDM4EHTTMAPTMAPK1L3MBTL1
SCHEMBL5459806 0.72 ALDH1A1 (0.50) KDM4EHTTLMNAATMHSD17B10
SCHEMBL31125298 0.71 PRNP (0.47) KDM4ELMNAMAPTHSD17B10CASP1
SCHEMBL4496916 0.70 AKR1C3 (0.58) KDM4ELMNAATMMAPTHSD17B10
SCHEMBL5785101 0.69 KDM4E (0.51) KDM4EHTTLMNAMAPTHSD17B10
SCHEMBL895915 0.68 SMN1; SMN2 (0.41) HTTLMNAATMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed
US-7504507-B2 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2009-03-17 US disclosed
US-20050245561-A1 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-03 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 (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-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI KDM4E 880/4885HTT 2733/4885LMNA 537/4885

“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.