SCHEMBL404439

SCHEMBL404439

Cc1cc(N)c(N)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 1.00
GAA P10253 2/20 0.53
CYP3A4 P08684 7/20 0.50
TSHR P16473 5/20 0.48
MAPK1 P28482 1/20 0.48
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PTK2 Q05397 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38

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
Hydrochloric Acid SCHEMBL7676240 0.97 CD44 (0.94) CD44GAACYP3A4TSHRMAPK1
SCHEMBL943759 0.86 CD44 (0.75) CD44GAACYP3A4TSHRMAPK1
SCHEMBL203360 0.86 CD44 (0.75) CD44GAACYP3A4TSHRMAPK1
SCHEMBL29739478 0.86 CD44 (0.75) CD44GAACYP3A4TSHRMAPK1
SCHEMBL8341703 0.86 CD44 (0.75) CD44GAACYP3A4TSHRMAPK1
SCHEMBL9634914 0.86 CD44 (0.75) CD44GAACYP3A4TSHRMAPK1
SCHEMBL2026149 0.80 GAA (0.67) CD44GAACYP3A4TSHRMAPK1
SCHEMBL29683620 0.80 GAA (0.67) CD44GAACYP3A4TSHRMAPK1
SCHEMBL405877 0.79 CD44 (0.65) CD44GAACYP3A4TSHRMAPK1
SCHEMBL4544583 0.79 CD44 (0.65) CD44GAACYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102049-A1 REMOVABLE SACCHARIDE-BENZIMIDAZOLE (BIM) TAGS AND CONJUGATES THEREOF VIA 1H-POSITION OF THE BENZIMIDAZOLES ACADEMIA SINICA (TW) 2013-04-25 US claimed
CN-119487024-A Herbicidal compounds 先正达农作物保护股份公司 2025-02-18 CN disclosed
WO-2023247301-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-12-28 WO disclosed
WO-2023247301-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-12-28 WO disclosed
EP-1812406-B1 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2018-09-12 EP disclosed
US-9527850-B2 Benzyl piperidine compounds as lysophosphatidic acid (LPA) receptor antagonist MERCK PATENT GMBH (DE) 2016-12-27 US disclosed
US-9527850-B2 Benzyl piperidine compounds as lysophosphatidic acid (LPA) receptor antagonist MERCK PATENT GMBH (DE) 2016-12-27 US disclosed
EP-2844648-B1 BENZYL PIPERIDINE COMPOUNDS AS LYSOPHOSPHATIDIC ACID (LPA) RECEPTOR ANTAGONIST MERCK PATENT GMBH (DE) 2016-11-09 EP disclosed
EP-2844648-B1 BENZYL PIPERIDINE COMPOUNDS AS LYSOPHOSPHATIDIC ACID (LPA) RECEPTOR ANTAGONIST MERCK PATENT GMBH (DE) 2016-11-09 EP disclosed
US-20160194308-A1 NOVEL PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGES-1 INHIBITORS NOVASAID AB (SE) 2016-07-07 US disclosed
CN-1158610-A Quinoxaline derivatives useful in therapy PFIZER LTD (IE) 1997-09-03 CN disclosed
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 WO disclosed
US-5493011-A PIGMENTING HIGH MOLECULAR WEIGHT NATURAL OR SYNTHETIC ORGANIC MATERIALS HOECHST AG (DE) 1996-02-20 US disclosed
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
WO-1991013941-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed
US-4138568-A NITRO-O-PHENYLENEDIAMINE, UREA, HALOBENZENE SOLVENT CIBA-GEIGY CORPORATION (US) 1979-02-06 US disclosed
US-4008225-A Process for the manufacture of bis-azomethine metal complex colorants CIBA-GEIGY CORPORATION (US) 1977-02-15 US disclosed
US-3963708-A Bis-azomethine metal complex colorants from hydroxycoumarin derivatives or hydroxychromone derivatives CIBA-GEIGY CORPORATION (US) 1976-06-15 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-20160194308-A1 NOVEL PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGES-1 INHIBITORS FAP, APC, PTGES CD44 4876/4885GAA 2065/4885CYP3A4 2117/4885
US-20130102049-A1 REMOVABLE SACCHARIDE-BENZIMIDAZOLE (BIM) TAGS AND CONJUGATES THEREOF VIA 1H-POSITION OF THE BENZIMIDAZOLES SORD, BTD, DERA CD44 135/4885GAA 513/4885CYP3A4 1179/4885

“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.