SCHEMBL4975644

SCHEMBL4975644

CCCCOC=Cc1c(C(=O)OC)ncc2c1ccn2Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
FAAH O00519 1/20 0.36
MAOB P27338 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SRC P12931 1/20 0.35
GAA P10253 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TP53 P04637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4975638 1.00 MMP1 (0.36) MMP1MMP9MMP13FAAHMAOB
SCHEMBL3495324 0.91 MAOB (0.38) MAOBHSP90AA1HSP90B1L3MBTL1KDM4E
SCHEMBL3495326 0.91 MAOB (0.38) MAOBHSP90AA1HSP90B1L3MBTL1KDM4E
SCHEMBL3495861 0.84 PDE4B (0.39) MAOBL3MBTL1KDM4EMAPTLMNA
SCHEMBL3495858 0.84 PDE4B (0.39) MAOBL3MBTL1KDM4EMAPTLMNA
SCHEMBL4962110 0.82 MAOB (0.38) MAOBHSP90AA1HSP90B1L3MBTL1KDM4E
SCHEMBL4962102 0.82 MAOB (0.38) MAOBHSP90AA1HSP90B1L3MBTL1KDM4E
SCHEMBL3495549 0.81 HDAC6 (0.43) MAOBL3MBTL1GAACYP11B1CYP11B2
SCHEMBL3495556 0.81 HDAC6 (0.43) MAOBL3MBTL1GAACYP11B1CYP11B2
SCHEMBL4965978 0.80 PDE4B (0.38) MAOBL3MBTL1KDM4EMAPTLMNA

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-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 WO 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP MMP1 418/4885MMP9 161/4885MMP13 2169/4885

“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.