SCHEMBL198093

SCHEMBL198093

Clc1ccc(-c2ccc[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP1A2 P05177 2/20 0.44
POLB P06746 2/20 0.43
PTPN11 Q06124 1/20 0.43
CSF1R P07333 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL9419852 0.87 HDAC6 (0.57) CNR1HDAC1HDAC6CSF1R
SCHEMBL380666 0.79
SCHEMBL27462334 0.78 HDAC1 (0.50) HDAC1HDAC6CYP1A2CSF1RALDH1A1
SCHEMBL7950166 0.78 CNR1 (0.44) CNR1HDAC1HDAC6POLBCSF1R
SCHEMBL237434 0.77 IDO1 (0.56) CNR1CSF1RALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL3824245 0.77 HDAC6 (0.48) CNR1HDAC1HDAC6CSF1RKDM4E
SCHEMBL80142 0.77 HDAC1 (0.48) CNR1HDAC1HDAC6POLBCSF1R
SCHEMBL9302892 0.76 HDAC1 (0.48) HDAC1HDAC6POLBALDH1A1MAPT
SCHEMBL1260031 0.76 HDAC1 (0.48) CNR1HDAC1HDAC6CSF1R
SCHEMBL10035779 0.76 HDAC1 (0.48) HDAC1HDAC6CYP1A2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022230804-A1 AGRICULTURAL AND HORTICULTURAL FUNGICIDAL COMPOSITION 日本曹達株式会社 2022-11-03 WO claimed
WO-2024143336-A1 HYDRAZIDE COMPOUND AND AGRICULTURAL/HORTICULTURAL BACTERICIDAL AGENT 日本曹達株式会社 2024-07-04 WO disclosed
WO-2024143338-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2024-07-04 WO disclosed
WO-2024117205-A1 BICYCLIC PYRIDINE DERIVATIVE AND SALT THEREOF, AND HARMFUL ORGANISM CONTROL AGENT CHARACTERIZED BY CONTAINING SAID DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 北興化学工業株式会社 2024-06-06 WO disclosed
WO-2024106438-A1 AMIDE COMPOUNDS OR SALTS THEREOF, BACTERICIDAL AGENTS FOR AGRICULTURE AND HORTICULTURE CONTAINING SAID COMPOUNDS, AND METHOD OF USING SAME 日本農薬株式会社 2024-05-23 WO disclosed
CN-112424201-B Protein kinase inhibitors that promote liver regeneration or reduce or prevent hepatocyte death 海帕瑞吉尼克斯股份有限公司 2024-04-02 CN disclosed
US-11939291-B2 GRP94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2024-03-26 US disclosed
CN-117586167-A New synthesis process of chlorfenapyr 山东潍坊双星农药有限公司 2024-02-23 CN disclosed
CN-117545763-A Yield improvement by gene combination 巴斯夫欧洲公司 2024-02-09 CN disclosed
CN-117479839-A Agrochemical adjuvant from Stachybotrys nivalens 禾大国际股份公开有限公司 2024-01-30 CN disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed
US-5739155-A Haloalkylthio,-sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO. (US) 1998-04-14 US disclosed
EP-0549866-B1 Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal, acaricidal and fungicidal agents AMERICAN CYANAMID CO (US) 1997-08-13 EP disclosed
US-5484807-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents BASF AKTIENGESELLSCHAFT 1996-01-16 US disclosed
US-5468877-A FOR PROTECTING CROPS AMERICAN CYANAMID COMPANY (US) 1995-11-21 US disclosed
US-5306827-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1994-04-26 US disclosed
US-5284863-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-02-08 US disclosed
EP-0549866-A1 Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal, acaricidal and fungicidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-07 EP disclosed
US-4499104-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTICONVULSANT AGENTS FARMATIS S.R.L. (IT) 1985-02-12 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 (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-11939291-B2 GRP94 selective inhibitors and uses thereof GRPR, HSP90B1, HSPE1 CNR1 3329/4885HDAC1 3783/4885HDAC6 1847/4885

“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.