SCHEMBL2168265

SCHEMBL2168265

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncn1)c(Cl)n2Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
PMP22 Q01453 2/20 0.47
KDM4E B2RXH2 2/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.44
MAPT P10636 6/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.42
PTGS2 P35354 1/20 0.41
PLA2G2A P14555 5/20 0.41
MEN1 O00255 1/20 0.39
RGS12 O14924 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 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
SCHEMBL2167987 0.93 FAAH (0.51) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2160503 0.88 FAAH (0.50) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2169406 0.85 FAAH (0.61) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2995166 0.85 FAAH (0.46) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3010532 0.85 PLA2G2A (0.41) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL4088424 0.84 FAAH (0.47) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2167924 0.84 FAAH (0.54) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2168175 0.83 FAAH (0.64) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2575746 0.83 FAAH (0.47) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2160424 0.82 TDP1 (0.52) LMNACYP1A2CYP3A4CYP2C9TSHR

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 8 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
WO-2011085216-A2 USE OF FAAH INHIBITORS FOR TREATING PARKINSON'S DISEASE AND RESTLESS LEGS SYNDROME IRONWOOD PHARMACEUTICALS, INC. (US) 2011-07-14 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 LMNA 3932/4885CYP1A2 1141/4885CYP3A4 1945/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 LMNA 3450/4885CYP1A2 287/4885CYP3A4 374/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 LMNA 4089/4885CYP1A2 302/4885CYP3A4 544/4885
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome FAAH, FAAH2, MGLL LMNA 1849/4885CYP1A2 1207/4885CYP3A4 1610/4885

“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.