SCHEMBL177749

SCHEMBL177749

CN(C(=O)c1ccc(B(O)O)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 1/20 0.60
HTT P42858 2/20 0.59
NR1H3 Q13133 2/20 0.55
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
MAOA P21397 1/20 0.54
PLAU P00749 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
NR1H2 P55055 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL257814 0.93 KDM4E (0.56) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL9001653 0.87 KMT2A (0.75) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL28501988 0.83 CXCR1 (0.44) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL493114 0.83 KMT2A (0.75) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL9567794 0.82 KMT2A (0.68) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL11320493 0.80 KMT2A (0.66) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL3455299 0.80 KMT2A (0.66) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL22575409 0.80 HTT (0.70) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL2469395 0.80 KMT2A (0.66) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL257767 0.80 KMT2A (0.66) KMT2AKDM4EHTTNR1H3EGFR

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
EP-2073816-B1 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC (US) 2011-09-14 EP disclosed
US-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
EP-2073816-A2 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2009-07-01 EP disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 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 (3 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-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 KMT2A 2041/4885KDM4E 1655/4885HTT 1554/4885
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME FAAH, FAAH2, ASAH1 KMT2A 2011/4885KDM4E 1861/4885HTT 1641/4885
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 KMT2A 2041/4885KDM4E 1655/4885HTT 1554/4885

“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.