SCHEMBL20943201

SCHEMBL20943201

CNCc1ccc(CCOC(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.38
RAD52 P43351 1/20 0.38
MMP8 P22894 1/20 0.38
CA1 P00915 2/20 0.37
TYR P14679 1/20 0.37
CA12 O43570 1/20 0.37
MET P08581 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL20943237 0.90 TNKS2 (0.46) NOS3NOS1NOS2LOXL2KDM4E
SCHEMBL5932564 0.83 KMT2A (0.41) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL5932575 0.83 KMT2A (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27934750 0.82 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL24483841 0.81 ALDH1A1 (0.60) NOS3NOS1NOS2LOXL2MAPT
SCHEMBL5932581 0.81 KMT2A (0.40) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL5932592 0.81 KMT2A (0.40) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL4634917 0.81 SMN1; SMN2 (0.36) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL4634921 0.81 ADH1B (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2387794 0.79 NPC1 (0.57) MAPTKDM4EALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3476829-B1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME UNIV FUDAN (CN) 2021-12-15 EP disclosed
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-12-01 US disclosed
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME UNIV FUDAN (CN) 2020-07-30 US disclosed
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-05-12 US disclosed
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME FUDAN UNIVERSITY (CN) 2019-08-15 US disclosed
EP-3476829-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME Fudan University (CN) 2019-05-01 EP 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-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA NOS3 2735/4885NOS1 3109/4885NOS2 2912/4885
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA NOS3 2617/4885NOS1 2970/4885NOS2 2781/4885
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA NOS3 2617/4885NOS1 2970/4885NOS2 2781/4885
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA NOS3 2735/4885NOS1 3109/4885NOS2 2912/4885

“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.