SCHEMBL2996313

SCHEMBL2996313

O=C(NC1CCCC1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.43
PKM P14618 3/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.42
EPHX1 P07099 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3002466 0.99 POLB (0.46) S1PR3POLBMAPTPKMGAA
SCHEMBL3002391 0.98 MAPT (0.43) S1PR3POLBMAPTPKMGAA
SCHEMBL3001904 0.96 MAPT (0.45) S1PR3MAPTPKMGAAALDH1A1
SCHEMBL2998737 0.93 POLB (0.46) POLBMAPTGAATP53EPHX1
SCHEMBL3010200 0.92 POLB (0.48) POLBMAPTGAATP53EPHX1
SCHEMBL3005561 0.91 CNR2 (0.43) POLBMAPTGAATP53EPHX1
SCHEMBL4386921 0.90 MAPT (0.42) S1PR3MAPTPKMGAAALDH1A1
SCHEMBL3008221 0.89 FAAH (0.49) POLBTP53EPHX1KDM4EHTT
SCHEMBL3002533 0.88 MAPT (0.43) S1PR3MAPTPKMGAAALDH1A1
SCHEMBL3000093 0.88 LMNA (0.45) POLBMAPTTP53LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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 (2 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 S1PR3 1215/4885POLB 4404/4885MAPT 997/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 S1PR3 411/4885POLB 4121/4885MAPT 2737/4885

“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.