SCHEMBL14670993

SCHEMBL14670993

[N-]=[N+]=Nc1cccc(C(=O)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TP53 P04637 1/20 0.37
▸ PTGS2 P35354 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ VCP P55072 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
SCHEMBL13653935 0.84 MAOB (0.48) ALDH1A1CA1CA2CA9CA12
SCHEMBL15397823 0.83 TP53 (0.38) TP53PTGS2CA1CA2CA9
SCHEMBL19983141 0.82 PARP1 (0.48) TSHRSIGMAR1
SCHEMBL13724974 0.82 ALDH1A1 (0.43) ALDH1A1PTGS2RIPK1
Hydrochloric Acid SCHEMBL28856154 0.82 MAOB (0.47) ALDH1A1CA1CA2CA9CA12
Hydrochloric Acid SCHEMBL29077427 0.81 PARP1 (0.47) TSHRSIGMAR1
SCHEMBL10478230 0.79 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL15714872 0.78 LOXL2 (0.47) ALDH1A1TSHRTP53CA1CA2
SCHEMBL19983030 0.78 HDAC8 (0.53) ALDH1A1PTGS2RIPK1HDAC1HDAC2
SCHEMBL13283358 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106167474-A A kind of preparation method of A Qitasai 中国医学科学院药物研究所 2016-11-30 — — CN claimed
CN-117597801-A Conductive substrate for battery electrode and method for manufacturing same JSR株式会社 2024-02-23 — — CN disclosed
WO-2023282228-A1 CONDUCTIVE SUBSTRATE FOR BATTERY ELECTRODES AND METHOD FOR PRODUCING SAME JSR株式会社 2023-01-12 — — WO disclosed
CN-115139587-A Electromagnetic wave shielding laminate and method for manufacturing same, shielded printed wiring board and method for manufacturing same, semiconductor package, and electronic device JSR株式会社 2022-10-04 — — CN disclosed
WO-2022181380-A1 SURFACE TREATMENT METHOD, SURFACE TREATEMENT AGENT, METHOD FOR PRODUCING BONDED BODY, METHOD FOR PRODUCING SUBSTANCE HAVING CONDUCTOR COATING, METHOD FOR PRODUCING SUBSTANCE ON WHICH COATING FILM IS FORMED, METHOD FOR PRODUCING CONDUCTOR-COATED RESIN SUBSTRATE, METHOD FOR PRODUCING WAVEGUID, METHOD FOR PRODUCING CIRCUIT BOARD OR ANTENNA, AND COMPOUND JSR株式会社 2022-09-01 — — WO disclosed
WO-2022181380-A1 SURFACE TREATMENT METHOD, SURFACE TREATEMENT AGENT, METHOD FOR PRODUCING BONDED BODY, METHOD FOR PRODUCING SUBSTANCE HAVING CONDUCTOR COATING, METHOD FOR PRODUCING SUBSTANCE ON WHICH COATING FILM IS FORMED, METHOD FOR PRODUCING CONDUCTOR-COATED RESIN SUBSTRATE, METHOD FOR PRODUCING WAVEGUID, METHOD FOR PRODUCING CIRCUIT BOARD OR ANTENNA, AND COMPOUND JSR株式会社 2022-09-01 — — WO disclosed
US-11332464-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2022-05-17 — — US disclosed
US-11332464-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2022-05-17 — — US disclosed
US-10906881-B2 Inhibitors of arginine gingipain Cortexyme, Inc. (US) 2021-02-02 — — US disclosed
US-10906881-B2 Inhibitors of arginine gingipain Cortexyme, Inc. (US) 2021-02-02 — — US disclosed
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2016-04-07 — — US disclosed
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2016-04-07 — — US disclosed
US-9167820-B2 Anti-biofilm compounds UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-10-27 — — US disclosed
US-9167820-B2 Anti-biofilm compounds UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-10-27 — — US disclosed
US-20140161845-A1 ANTI-BIOFILM COMPOUNDS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION INC. (US) 2014-06-12 — — US disclosed
US-20140161845-A1 ANTI-BIOFILM COMPOUNDS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION INC. (US) 2014-06-12 — — US disclosed
CN-103420954-A Preparation technology for aziditaxel and correlated intermediates thereof INST MATERIA MEDICA CAMS 2013-12-04 — — CN disclosed
WO-2013016206-A1 ANTI-BIOFILM COMPOUNDS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-01-31 — — WO disclosed
CN-1199954-C Benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2005-05-04 — — CN disclosed
CN-1379764-A Benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2002-11-13 — — 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 (4 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-10906881-B2 Inhibitors of arginine gingipain ARGLU1, ENPEP, PRAP1 ALDH1A1 2785/4885TSHR 3609/4885TP53 704/4885
US-20140161845-A1 ANTI-BIOFILM COMPOUNDS MSR1, NPR1, FPR1 ALDH1A1 3602/4885TSHR 123/4885TP53 4671/4885
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ALDH1A1 2355/4885TSHR 4691/4885TP53 1085/4885
US-11332464-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP ALDH1A1 2355/4885TSHR 4691/4885TP53 1085/4885

“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.

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