SCHEMBL4052856

SCHEMBL4052856

COc1ccc2c(c1)cc(C(=O)c1cc(-c3ncccn3)ns1)n2Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.52
PTGS2 P35354 4/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
GNAI1 P63096 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL2002202 0.84 ALDH1A1 (0.52) PTGS2KMT2AMEN1RGS12ALDH1A1
SCHEMBL2002181 0.81 LMNA (0.52) KMT2AALDH1A1LMNAMAPT
SCHEMBL2006203 0.73 ALDH1A1 (0.49) PTGS2KMT2AMEN1RGS12ALDH1A1
SCHEMBL2002307 0.73 ALDH1A1 (0.49) PTGS2KMT2AMEN1RGS12ALDH1A1
SCHEMBL2004746 0.73 ALDH1A1 (0.49) PTGS2KMT2AMEN1RGS12ALDH1A1
SCHEMBL6867612 0.71 CCR2 (0.61) CCR2PTGS2KMT2AALDH1A1MAPT
SCHEMBL2004526 0.70 ALDH1A1 (0.52) PTGS2KMT2AMEN1RGS12ALDH1A1
Acetic Acid SCHEMBL3967081 0.70 CCR2 (0.63) CCR2PTGS2KMT2AMEN1RGS12
SCHEMBL2001360 0.70 ALDH1A1 (0.52) PTGS2KMT2AMEN1RGS12ALDH1A1
SCHEMBL2008092 0.70 ALDH1A1 (0.52) PTGS2KMT2AMEN1RGS12ALDH1A1

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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT CCR2 2597/4885PTGS2 460/4885KMT2A 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.