SCHEMBL2168622

SCHEMBL2168622

COc1cccc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.68
FAAH O00519 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PLA2G2A P14555 2/20 0.52
MEN1 O00255 1/20 0.49
RGS12 O14924 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
GNAI1 P63096 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL2169925 0.93 FAAH (0.64) MAPTFAAHSMN1; SMN2TP53RXFP1
SCHEMBL2168110 0.93 FAAH (0.65) MAPTFAAHSMN1; SMN2PLA2G2AMEN1
SCHEMBL2168258 0.93 FAAH (0.65) MAPTFAAHSMN1; SMN2PLA2G2AMEN1
SCHEMBL2999877 0.91 MAPT (0.61) MAPTFAAHSMN1; SMN2TP53RXFP1
SCHEMBL2170352 0.91 FAAH (0.73) MAPTFAAHSMN1; SMN2PLA2G2AMEN1
SCHEMBL2170160 0.90 FAAH (0.62) MAPTFAAHSMN1; SMN2TP53PLA2G2A
SCHEMBL2168224 0.89 MAPT (0.58) MAPTFAAHTP53MEN1KMT2A
SCHEMBL2168630 0.88 FAAH (0.64) MAPTFAAHPLA2G2AMEN1RGS12
SCHEMBL2168730 0.88 FAAH (0.62) MAPTFAAHSMN1; SMN2PLA2G2AMEN1
SCHEMBL2169306 0.88 FAAH (0.62) MAPTFAAHSMN1; SMN2PLA2G2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain UNITED STATES OF AMERICA (US) 2013-08-29 US claimed
WO-2011123719-A2 USE OF FAAH INHIBITORS FOR TREATING ABDOMINAL, VISCERAL AND PELVIC PAIN IRONWOOD PHARMACEUTICALS, INC. (US) 2011-10-06 WO claimed
WO-2011085216-A2 USE OF FAAH INHIBITORS FOR TREATING PARKINSON'S DISEASE AND RESTLESS LEGS SYNDROME IRONWOOD PHARMACEUTICALS, INC. (US) 2011-07-14 WO claimed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US claimed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US claimed
US-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain UNITED STATES OF AMERICA (US) 2013-08-29 US disclosed
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome QUEST VENTURES LTD. (GB) 2013-06-13 US disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
WO-2011123719-A2 USE OF FAAH INHIBITORS FOR TREATING ABDOMINAL, VISCERAL AND PELVIC PAIN IRONWOOD PHARMACEUTICALS, INC. (US) 2011-10-06 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 (4 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-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain FAAH, FAAH2, PNLIP MAPT 4229/4885FAAH 1/4885SMN1; SMN2 3297/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 MAPT 997/4885FAAH 109/4885SMN1; SMN2 3581/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MAPT 2737/4885FAAH 1/4885SMN1; SMN2 4055/4885
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome FAAH, FAAH2, MGLL MAPT 3165/4885FAAH 1/4885SMN1; SMN2 1332/4885

“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.