SCHEMBL3594861

SCHEMBL3594861

O=C(O)C(Cl)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
ACP3 P15309 5/20 0.45
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CDC25B P30305 1/20 0.42
WDR5 P61964 1/20 0.40
CTNNB1 P35222 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL27749398 0.85 CYP1A2 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
Methane SCHEMBL28055041 0.83 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL28140482 0.80 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL328867 0.80 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL6051357 0.80 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL11469390 0.79 KMT2A (0.45) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL4954667 0.78 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL4955989 0.78 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL1826565 0.78 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL14376212 0.78 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114868614-A Method for preserving potentilla anserina germplasm resources in field 青海民族大学 2022-08-09 CN disclosed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
CN-101622241-B Benzimidazole compound and medical application thereof MITSUBISHI TANABE PHARMA CORP 2013-05-22 CN disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
CN-101622241-A Benzimidazole compound and medical application thereof MITSUBISHI TANABE PHARMA CORP 2010-01-06 CN disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 EP disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 ALDH1A1 63/4885CYP2C9 152/4885CYP2C19 50/4885

“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.