SCHEMBL16396351

SCHEMBL16396351

O=C(O)NCc1cc(F)cc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
METAP2 P50579 4/20 0.39
RIPK1 Q13546 1/20 0.38
AURKA O14965 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
SRC P12931 1/20 0.36
POLB P06746 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL22689651 0.87 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3563691 0.87 METAP2 (0.47) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL18051105 0.80 AKR1C3 (0.44) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL30751309 0.77 GRM2 (0.43) L3MBTL1
Hydrochloric Acid SCHEMBL8005404 0.77 TAAR1 (0.35) AKR1B1METAP2AURKAEGLN1
SCHEMBL8014788 0.77 GRM2 (0.43) L3MBTL1
SCHEMBL22501599 0.76 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL1560270 0.76 AKR1B1 (0.49) AKR1B1TSHRHPGDKMT2APOLB
Hydrochloric Acid SCHEMBL8005400 0.76 METAP2 (0.36) AKR1B1TSHRMETAP2AURKARAB9A
SCHEMBL23275514 0.75 ERCC1 (0.37) AKR1B1CYP1A2CYP2D6CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 WO disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
CN-101983010-A Dual pharmacophores-pde4-muscarinic antagonistics GLAXO GROUP LTD 2011-03-02 CN 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 (2 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB AKR1B1 508/4885CYP1A2 402/4885CYP2D6 321/4885
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 AKR1B1 627/4885CYP1A2 481/4885CYP2D6 632/4885

“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.