SCHEMBL170719

SCHEMBL170719

CCc1c(C)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
KDM4E B2RXH2 3/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EED O75530 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA12 O43570 1/20 0.33

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
SCHEMBL91337 0.85 KDM4E (0.45) ACHEKDM4EALDH1A1SMN1; SMN2TAAR1
SCHEMBL170728 0.82 ACHE (0.46) ACHEKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL597056 0.82 CYP2A6 (0.45) ACHEALDH1A1TAAR1NOS3NOS2
SCHEMBL22763796 0.81 ACHE (0.50) ACHEKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL2087457 0.79 ACHE (0.48) ACHEKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL6405863 0.79 ACHE (0.48) ACHEKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL11308408 0.79 ACHE (0.48) ACHEKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL30910926 0.79 ACHE (0.48) ACHEKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL15071663 0.79 ACHE (0.48) ACHEKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL169506 0.78 GABRA1 (0.48) ALDH1A1SMN1; SMN2TAAR1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
WO-2023220402-A1 ENPP1 MODULATORS AND PRODUCTS AND USES THEREOF GOSSAMER BIO SERVICES, INC. (US) 2023-11-16 WO disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-7396857-B2 Therapeutic combinations for the treatment or prevention of depression WYETH (US) 2008-07-08 US disclosed
WO-2008066356-A1 ARYL COMPOUNDS AS PPAR LIGANDS AND THEIR USE SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-06-05 WO disclosed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO disclosed
WO-2007075895-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
CN-1031941-C Process for preparing fluoroethylcamptothecin derivatives KYORIN SEIYAKU KK (JP) 1996-06-05 CN disclosed
CN-1060095-A Fluoroethylcamptothederivatives derivatives KYORIN SEIYAKU KK (JP) 1992-04-08 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 (7 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-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE ACHE 3/4885KDM4E 1655/4885PKM 1525/4885
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC ACHE 509/4885KDM4E 782/4885PKM 2661/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 ACHE 4617/4885KDM4E 555/4885PKM 4229/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 ACHE 2837/4885KDM4E 327/4885PKM 2470/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS ACHE 4868/4885KDM4E 2695/4885PKM 2457/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD ACHE 4854/4885KDM4E 2840/4885PKM 1588/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS ACHE 4844/4885KDM4E 3651/4885PKM 4119/4885

“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.