SCHEMBL989608

SCHEMBL989608

CNc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
TP53 P04637 1/20 0.48
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 3/20 0.46
HPGD P15428 2/20 0.46
MCL1 Q07820 1/20 0.46
CA1 P00915 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
USP2 O75604 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3780224 0.82 GAA (0.53) ALDH1A1GAAKDM4EGLATP53
SCHEMBL257705 0.81 LMNA (0.44) ALDH1A1GAAKDM4EGLATP53
SCHEMBL1679559 0.80 RAPGEF4 (0.52) ALDH1A1GAAKDM4EGLATP53
Hydrochloric Acid SCHEMBL28204647 0.78 RAPGEF4 (0.50) ALDH1A1GAAKDM4EGLATP53
SCHEMBL3790110 0.78 CYP3A4 (0.54) ALDH1A1GAAKDM4EGLASMN1; SMN2
SCHEMBL5768693 0.78 RAB9A (0.47) ALDH1A1GAAKDM4ELMNASMN1; SMN2
SCHEMBL30780064 0.78 NOX1 (0.55) ALDH1A1GAAKDM4EGLASMN1; SMN2
SCHEMBL3781932 0.78 ALDH1A1 (0.37) ALDH1A1GAAKDM4EGLALMNA
SCHEMBL9233011 0.78 NOX1 (0.55) ALDH1A1GAAKDM4EGLASMN1; SMN2
SCHEMBL5800763 0.76 ALDH1A1 (0.48) ALDH1A1GAAKDM4EGLALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20260008768-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 US disclosed
WO-2024074651-A1 SARS-COV-2 MPRO INHIBITORS AND USES THEREOF HEPTARES THERAPEUTICS LIMITED (GB) 2024-04-11 WO disclosed
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
CN-117209485-A Pyrimidine skeleton compound with anti-tumor activity and preparation method and application thereof 四川大学华西医院 2023-12-12 CN disclosed
EP-4010080-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-09-27 EP disclosed
CN-111132976-B Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2023-08-22 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-113874079-A Bridged tricyclic carbamoylpyridone compounds and pharmaceutical use thereof 吉利德科学公司 2021-12-31 CN disclosed
EP-3719015-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2020-10-07 EP disclosed
EP-1311160-A4 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INST SCI & TECH (KR) 2004-04-21 EP disclosed
US-20030203950-A1 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-10-30 US disclosed
EP-1311160-A1 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-05-21 EP disclosed
WO-2002013611-A1 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-02-21 WO disclosed
WO-1998017631-A2 SUBSTITUTED OXIME-ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-04-30 WO disclosed
EP-0013144-B1 SUBSTITUTED DIPHENYLAMINE DERIVATIVES, COMPOSITIONS AND HERBICIDAL USES THEREOF, AND PROCESSES FOR THEIR PREPARATION ICI AUSTRALIA LIMITED (AU) 1983-02-23 EP disclosed
US-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed
EP-0013144-A1 Substituted diphenylamine derivatives, compositions and herbicidal uses thereof, and processes for their preparation ICI AUSTRALIA LIMITED (AU) 1980-07-09 EP disclosed
US-4101575-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed
US-3981717-A ANILINO COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1976-09-21 US 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-20260008768-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 ALDH1A1 1340/4885GAA 1687/4885KDM4E 4547/4885
US-20030203950-A1 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same TYR, SYPL1, SSBP1 ALDH1A1 4656/4885GAA 2297/4885KDM4E 4273/4885

“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.