SCHEMBL4913838

SCHEMBL4913838

CCn1cc(COc2ccc(F)cc2)c2c(C(=O)NO)nccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.37
MET P08581 2/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
PTPN1 P18031 1/20 0.35
MAOB P27338 2/20 0.34
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
FAAH O00519 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IDO1 P14902 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
SCHEMBL4908542 0.85 ALDH1A1 (0.45) METKDRPOLBMAPTALDH1A1
SCHEMBL4915085 0.84 MAPT (0.42) METKDRMEN1POLBMAPT
SCHEMBL2951301 0.76 MMP1 (0.39) MMP1MAPTALDH1A1GAAMAOB
SCHEMBL4910416 0.75 CA12 (0.31) MAPT
SCHEMBL4910748 0.73 RAB9A (0.42) METKDRMEN1CYP1A2POLB
SCHEMBL4911191 0.71 MRGPRX4 (0.44) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL1503263 0.68 MMP1 (0.44) MMP1MEN1CYP1A2POLBMAPT
SCHEMBL4904955 0.66 BRD4 (0.40) MAPTALDH1A1
SCHEMBL2950146 0.66 ALDH1A1 (0.42) MAPTALDH1A1MAOB
SCHEMBL4913829 0.66 TUBB4A (0.37) MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US claimed

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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MMP1 335/4885MET 4102/4885KDR 3705/4885

“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.