SCHEMBL8901243

SCHEMBL8901243

O=C(CCl)Nc1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
POLB P06746 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
ALDH1A1 P00352 9/20 0.68
KDM4E B2RXH2 4/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 1/20 0.68
HIF1A Q16665 1/20 0.68
RAB9A P51151 6/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
GAA P10253 1/20 0.64
NPC1 O15118 5/20 0.60
LMNA P02545 4/20 0.60
HTT P42858 4/20 0.59
MITF O75030 2/20 0.59
RNF4 P78317 1/20 0.58
MAPK1 P28482 1/20 0.58
OGT O15294 1/20 0.57

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
SCHEMBL29728198 1.00 MAPT (0.72) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL23748677 0.84 RNF4 (0.75) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL31536277 0.84 RNF4 (0.75) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL8016390 0.84 MEN1 (0.51) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL11710607 0.84 MAPT (0.74) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL11710601 0.84 MEN1 (0.74) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL521958 0.84 MAPT (1.00) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL1913977 0.82 ALDH1A1 (0.73) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL31152634 0.82 ALDH1A1 (0.73) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL1285643 0.82 ALDH1A1 (0.73) MAPTMEN1KMT2APOLBL3MBTL1

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
CN-116406231-A Molecules having certain pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-07-07 CN disclosed
US-20230058312-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2023-02-23 US disclosed
US-20230058312-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2023-02-23 US disclosed
CN-115397806-A Aryl and heteroaryl compounds and their therapeutic use in conditions associated with altered activity of galactocerebrosidase 增益治疗股份有限公司 2022-11-25 CN disclosed
EP-4065546-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE Gain Therapeutics SA (CH) 2022-10-05 EP disclosed
CN-109265451-B Butyrylcholinesterase selective inhibitor and preparation method and application thereof 中国药科大学 2022-07-15 CN disclosed
WO-2022132609-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-06-23 WO disclosed
WO-2021105906-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2021-06-03 WO disclosed
WO-2021105906-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2021-06-03 WO disclosed
US-20210134398-A1 Combinatorial Chemistry Computational System and Enhanced Selection Method NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 US disclosed
US-20210134398-A1 Combinatorial Chemistry Computational System and Enhanced Selection Method NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 US disclosed
WO-1997014685-A1 PYRIMIDINE DERIVATIVES GYÓGYSZERKUTATÓ INTÉZET KFT (HU) 1997-04-24 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 (1 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-20230058312-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GBA1, GALC, MAN2B1 MAPT 845/4885MEN1 4325/4885KMT2A 1760/4885

“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.