SCHEMBL4099162

SCHEMBL4099162

COc1ccc2c(c1)c(C(=O)C(=O)NN1CCCCC1)c(C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 1/20 0.56
RGS12 O14924 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
GNAI1 P63096 1/20 0.56
PMP22 Q01453 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
FAAH O00519 1/20 0.53
USP14 P54578 1/20 0.51

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
SCHEMBL4388976 0.92 ALDH1A1 (0.50) PLA2G2AALDH1A1TSHRMEN1RGS12
SCHEMBL2995067 0.90 FAAH (0.51) PLA2G2AALDH1A1TSHRMEN1RGS12
SCHEMBL3011391 0.89 FAAH (0.58) PLA2G2AALDH1A1TSHRMEN1RGS12
SCHEMBL2991276 0.84 ALDH1A1 (0.57) PLA2G2AALDH1A1TSHRMEN1RGS12
SCHEMBL2169439 0.84 FAAH (0.67) PLA2G2AALDH1A1TSHRMEN1RGS12
SCHEMBL4083920 0.83 ALDH1A1 (0.60) PLA2G2AALDH1A1TSHRMEN1RGS12
SCHEMBL2169523 0.83 FAAH (0.66) PLA2G2AALDH1A1TSHRMEN1RGS12
SCHEMBL2008020 0.82 PLA2G2A (0.69) PLA2G2AALDH1A1TSHRMEN1RGS12
SCHEMBL2168620 0.82 FAAH (0.65) PLA2G2AALDH1A1TSHRMEN1RGS12
SCHEMBL2168465 0.81 PLA2G2A (0.66) PLA2G2AALDH1A1TSHRMEN1RGS12

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-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PLA2G2A 242/4885ALDH1A1 648/4885TSHR 3365/4885

“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.