SCHEMBL291668

SCHEMBL291668

[CH2]Cc1cc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.70
ASIC3 Q9UHC3 1/20 0.64
LOXL2 Q9Y4K0 1/20 0.64
AGXT P21549 1/20 0.58
ADRB2 P07550 1/20 0.58
ADRA1D P25100 2/20 0.47
MGLL Q99685 1/20 0.44
BCL2L1 Q07817 1/20 0.42
IDH1 O75874 1/20 0.42
CHRNA7 P36544 1/20 0.42
CA2 P00918 1/20 0.41
APP P05067 2/20 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
SCHEMBL1706424 0.83 CYP2A6 (0.60) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL355949 0.83 CYP2A6 (1.00) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL3106945 0.83 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL4961407 0.82 CYP2A6 (0.69) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2098350 0.80 CYP2A6 (0.56) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2096518 0.79 CYP2A6 (0.55) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2568843 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL18666283 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL1522855 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL240588 0.78 CYP2A6 (1.00) CYP2A6ASIC3LOXL2AGXTADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117769421-A Combination therapy for treating cancer using PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-03-26 CN disclosed
CN-117769420-A Combination therapy for treating cancer using PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-03-26 CN disclosed
CN-112004816-B PRC2 inhibitors 米拉蒂医疗股份有限公司 2024-01-05 CN disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
WO-2023134733-A1 TREATMENT OF SIGNS, SYMPTOMS AND/OR COMPLICATIONS OF VIRAL, BACTERIAL, PROTOZOAL, AND/OR FUNGAL INFECTIONS BY HIGH PENETRATION PRODRUGS TECHFIELDS PHARMA CO., LTD. (CN) 2023-07-20 WO disclosed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed
CN-114761012-A Combination therapy 米拉蒂治疗股份有限公司 2022-07-15 CN disclosed
EP-3929228-A1 BATTERY MATERIAL AND ELECTRODE MATERIAL Nissan Chemical Corporation (JP) 2021-12-29 EP disclosed
CN-106458904-B N-substituted sulfonamide compound and process for producing the same 宇部兴产株式会社 2021-12-03 CN disclosed
EP-0550631-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE AND ANTI-ISCHEMIC PROPERTIES. RHONE POULENC RORER INT (US) 1993-07-14 EP disclosed
WO-1992005177-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE AND ANTI-ISCHEMIC PROPERTIES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-04-02 WO disclosed
EP-0234776-B1 PROCESS FOR 1,4-DIHYDROPYRIDINE COMPOUNDS MERCK & CO. INC. (US) 1991-09-04 EP disclosed
US-4780538-A REACTING AN AMINOALKENOATE WITH AN AROMATIC ALDEHYDE USING AN TITANAMINE CATALYST MERCK & CO., INC. (US) 1988-10-25 US disclosed
EP-0234776-A2 Process for 1,4-dihydropyridine compounds MERCK & CO. INC. (US) 1987-09-02 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT CYP2A6 969/4885ASIC3 3192/4885LOXL2 3091/4885

“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.