SCHEMBL13181422

SCHEMBL13181422

CCc1cccc(C(=O)CCN2CCN(C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ GFER P55789 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ TSHR P16473 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTR1A P08908 1/20 0.45

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
SCHEMBL13181454 0.90 ALDH1A1 (0.61) THRBALDH1A1KMT2AGFERMAPT
SCHEMBL13181438 0.89 ALDH1A1 (0.64) THRBALDH1A1KMT2AGFERMAPT
SCHEMBL13181456 0.86 ALDH1A1 (0.66) THRATHRBALDH1A1KMT2AMAPT
SCHEMBL13362469 0.85 DRD4 (0.46) THRATHRBHTR1A
Hydrochloric Acid SCHEMBL7932166 0.82 L3MBTL1 (0.62) ALDH1A1KMT2AGFERMAPTTSHR
SCHEMBL13818530 0.81 ALDH1A1 (0.54) THRBALDH1A1KMT2AGFERACHE
Hydrochloric Acid SCHEMBL7922495 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AGFERMAPTTSHR
Hydrochloric Acid SCHEMBL7929060 0.81 HTR1A (0.53) ALDH1A1KMT2AGFERMAPTTSHR
SCHEMBL3893679 0.81 KMT2A (0.73) ALDH1A1KMT2AGFERMAPTHTR1A
SCHEMBL13155340 0.80 ACHE (0.55) THRATHRBALDH1A1KMT2AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 — — US disclosed
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 — — US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 — — US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 — — US disclosed
US-7585888-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-08 — — US disclosed
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-02-26 — — US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 — — US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 — — 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 (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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 THRA 4292/4885THRB 4047/4885ALDH1A1 609/4885
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT THRA 3238/4885THRB 2562/4885ALDH1A1 302/4885
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ETV6, MKI67, PAH THRA 3274/4885THRB 2347/4885ALDH1A1 330/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 THRA 4292/4885THRB 4047/4885ALDH1A1 609/4885

“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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