SCHEMBL19089435

SCHEMBL19089435

Cc1cccc2c1ccn2I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
CYP1A2 P05177 4/20 0.44
CYP2A6 P11509 3/20 0.44
FABP4 P15090 2/20 0.39
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
P2RX7 Q99572 1/20 0.35
PRMT5 O14744 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NQO2 P16083 1/20 0.33
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL256208 0.76 ALDH1A1 (0.50) HTR2AHTR2CCYP1A2CYP2A6FABP4
SCHEMBL10441151 0.74 HTR2A (0.47) HTR2AHTR2CCYP1A2CYP2A6FABP4
SCHEMBL4071478 0.74 HTR2A (0.51) HTR2AHTR2CCYP1A2CYP2A6FABP4
SCHEMBL18509203 0.71 SLC6A2 (0.43) CYP1A2FABP4ALKBH5FTOSLC6A2
SCHEMBL13209712 0.71 HTR2A (0.45) HTR2AHTR2CCYP1A2CYP2A6FABP4
SCHEMBL13090965 0.71 HTR2C (0.53) HTR2AHTR2CCYP1A2CYP2A6FABP4
SCHEMBL2120779 0.71 HTR2C (0.62) HTR2AHTR2CCYP1A2CYP2A6FABP4
SCHEMBL28894100 0.70 HTR2A (0.41) HTR2AHTR2CCYP1A2CYP2A6FABP4
SCHEMBL25436534 0.69 HTR2A (0.44) HTR2AHTR2CCYP1A2CYP2A6FABP4
SCHEMBL28607288 0.69 HTR2A (0.44) HTR2AHTR2CCYP1A2CYP2A6FABP4

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
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO disclosed
EP-3526239-B1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORP (KR) 2021-11-03 EP disclosed
US-11162104-B2 SCN9A antisense pain killer OLIPASS CORPORATION (KR) 2021-11-02 US disclosed
US-20190337987-A1 EXON SKIPPING BY PEPTIDE NUCLEIC ACID DERIVATIVES OLIPASS CORPORATION (KR) 2019-11-07 US disclosed
WO-2018069764-A1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2018-04-19 WO disclosed
WO-2017114500-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY 恩瑞生物医药科技(上海)有限公司 2017-07-06 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-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 HTR2A 4196/4885HTR2C 3603/4885CYP1A2 69/4885
US-20190337987-A1 EXON SKIPPING BY PEPTIDE NUCLEIC ACID DERIVATIVES PTBP1, RBM17, UPF1 HTR2A 4665/4885HTR2C 4812/4885CYP1A2 4669/4885
US-11162104-B2 SCN9A antisense pain killer SCN9A, SCN7A, SCN8A HTR2A 2578/4885HTR2C 3373/4885CYP1A2 4700/4885

“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.