SCHEMBL18264378

SCHEMBL18264378

COC(=O)CCN1C(=O)COc2cc(Br)c(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.50
TSHR P16473 3/20 0.45
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KAT2B Q92831 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL18264379 0.88 KMO (0.50) KMOTSHRKMT2AUSP2HTT
SCHEMBL18264332 0.81 KMO (0.43) KMOTSHRKMT2AUSP2HTT
SCHEMBL16897914 0.79 TSHR (0.69) TSHRKMT2AHTTCYP3A4CYP2C19
SCHEMBL31444652 0.78 TSHR (0.46) KMOTSHRKMT2ACYP3A4CYP2C19
SCHEMBL18272478 0.77 KMO (0.49) KMOTSHRKMT2AUSP2HTT
SCHEMBL18264345 0.77 KMO (0.43) KMOTSHRKMT2AUSP2HTT
SCHEMBL7268703 0.75 KMO (0.51) KMOTSHRKMT2AUSP2HTT
SCHEMBL31444551 0.74 MAPT (0.46) KMOTSHRKMT2ACYP3A4CYP2C19
SCHEMBL5799939 0.74 KMT2A (0.47) KMOTSHRKMT2ACYP3A4CYP2C19
SCHEMBL18264343 0.74 KMO (0.54) KMOTSHRKMT2AUSP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611756-B2 Method of treating pancreatitis using 1,4-benzoxazine derivatives THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-04-07 US disclosed
US-10611756-B2 Method of treating pancreatitis using 1,4-benzoxazine derivatives THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-04-07 US disclosed
US-20190169178-A1 METHODS DR. FALK PHARMA GMBH (DE) 2019-06-06 US disclosed
US-20190169178-A1 METHODS DR. FALK PHARMA GMBH (DE) 2019-06-06 US disclosed
US-10246447-B2 3-(6-chloro-3-oxo-3,4-dihydro-(2H)-1,4-benzoxazin-4-yl) propanoic acid derivatives and their use as KMO inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-02 US disclosed
US-10246447-B2 3-(6-chloro-3-oxo-3,4-dihydro-(2H)-1,4-benzoxazin-4-yl) propanoic acid derivatives and their use as KMO inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-02 US disclosed
US-20180170920-A1 3-(6-CHLORO-3-OXO-3,4-DIHYDRO-(2H)-1,4-BENZOXAZIN-4-YL) PROPANOIC ACID DERIVATIVES AND THEIR USE AS KMO INHIBITORS DR. FALK PHARMA GMBH (DE) 2018-06-21 US disclosed
US-20180170920-A1 3-(6-CHLORO-3-OXO-3,4-DIHYDRO-(2H)-1,4-BENZOXAZIN-4-YL) PROPANOIC ACID DERIVATIVES AND THEIR USE AS KMO INHIBITORS DR. FALK PHARMA GMBH (DE) 2018-06-21 US disclosed
US-20180170920-A1 3-(6-CHLORO-3-OXO-3,4-DIHYDRO-(2H)-1,4-BENZOXAZIN-4-YL) PROPANOIC ACID DERIVATIVES AND THEIR USE AS KMO INHIBITORS DR. FALK PHARMA GMBH (DE) 2018-06-21 US disclosed
EP-3298009-A1 3-(6-CHLORO-3-OXO-3,4-DIHYDRO-(2H)-1,4-BENZOXAZIN-4-YL) PROPANOIC ACID DERIVATIVES AND THEIR USE AS KMO INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-03-28 EP disclosed
WO-2016188827-A1 3-(6-CHLORO-3-OXO-3,4-DIHYDRO-(2H)-1,4-BENZOXAZIN-4-YL) PROPANOIC ACID DERIVATIVES AND THEIR USE AS KMO INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-01 WO disclosed
WO-2016188827-A1 3-(6-CHLORO-3-OXO-3,4-DIHYDRO-(2H)-1,4-BENZOXAZIN-4-YL) PROPANOIC ACID DERIVATIVES AND THEIR USE AS KMO INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-01 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-10611756-B2 Method of treating pancreatitis using 1,4-benzoxazine derivatives AMY2A, KMO, KLK5 KMO 2/4885TSHR 2621/4885KMT2A 490/4885
US-10246447-B2 3-(6-chloro-3-oxo-3,4-dihydro-(2H)-1,4-benzoxazin-4-yl) propanoic acid derivatives and their use as KMO inhibitors KMO, SNCA, AP1S1 KMO 1/4885TSHR 1898/4885KMT2A 1829/4885
US-20180170920-A1 3-(6-CHLORO-3-OXO-3,4-DIHYDRO-(2H)-1,4-BENZOXAZIN-4-YL) PROPANOIC ACID DERIVATIVES AND THEIR USE AS KMO INHIBITORS KMO, SNCA, AP1S1 KMO 1/4885TSHR 1898/4885KMT2A 1829/4885
US-20190169178-A1 METHODS KMO, AMY2A, RNASE1 KMO 1/4885TSHR 3252/4885KMT2A 542/4885

“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.