SCHEMBL9236147

SCHEMBL9236147

O=C(O)c1c(Cl)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.59
CYP19A1 P11511 1/20 0.58
P2RX4 Q99571 1/20 0.56
FOLH1 Q04609 1/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 3/20 0.50
MAPK1 P28482 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
EGLN1 Q9GZT9 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL12749049 0.92 ALDH1A1 (0.60) CCR2CYP19A1P2RX4KDM4EALDH1A1
SCHEMBL8506509 0.88 SMN1; SMN2 (0.58) CCR2CYP19A1P2RX4FOLH1KDM4E
SCHEMBL14584016 0.85 ALDH1A1 (0.61) CCR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL14584015 0.85 ALDH1A1 (0.54) CCR2CYP19A1FOLH1KDM4EALDH1A1
SCHEMBL612585 0.83 POLB (0.62) CCR2CYP19A1P2RX4KDM4EALDH1A1
SCHEMBL28158573 0.81 P2RX4 (0.60) CCR2CYP19A1P2RX4KDM4EALDH1A1
SCHEMBL12749039 0.81 LMNA (0.58) CCR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL22499375 0.81 CYP19A1 (0.46) CCR2CYP19A1P2RX4FOLH1KDM4E
SCHEMBL14584017 0.81 CCR2 (0.53) CCR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL28115275 0.79 LMNA (0.57) CCR2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574787-B Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity UNIV SINGAPORE 2014-12-31 CN disclosed
US-8742100-B2 Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-06-03 US disclosed
US-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-08-02 US disclosed
CN-102574787-A Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity UNIV SINGAPORE 2012-07-11 CN disclosed
EP-2459533-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY National University of Singapore (SG) 2012-06-06 EP disclosed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 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 (3 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-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY ICMT, BHMT, SHMT1 CCR2 3883/4885CYP19A1 3455/4885P2RX4 4812/4885
US-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR CCR2 2500/4885CYP19A1 1915/4885P2RX4 4039/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR CCR2 2500/4885CYP19A1 1915/4885P2RX4 4039/4885

“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.