SCHEMBL10410638

SCHEMBL10410638

CC(C)NCCSCc1ccco1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.60
▸ POLB P06746 8/20 0.60
▸ MAPT P10636 7/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ RECQL P46063 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HPGD P15428 3/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ USP2 O75604 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ LMNA P02545 1/20 0.46

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 SCHEMBL10410636 0.98 ALDH1A1 (0.58) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12580051 0.81 ALDH1A1 (0.65) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL14443010 0.78 RAB9A (0.42) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL10245401 0.77 ALDH1A1 (0.60) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL11041715 0.77 ALDH1A1 (0.60) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL6130008 0.75 ALDH1A1 (0.57) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL25279455 0.75 ALDH1A1 (0.50) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL21397712 0.74 ALDH1A1 (0.60) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL140950 0.74 TSHR (0.59) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL105281 0.73 MAPT (0.51) ALDH1A1POLBMAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 — — US disclosed
US-4895840-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-01-23 — — US disclosed
EP-0295010-A1 Derivatives of alkylaminoalkyl ureas and cyanoguanidines A.H. ROBINS COMPANY, INCORPORATED (US) 1988-12-14 — — EP disclosed
US-4724235-A N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-09 — — US disclosed
US-4597902-A TREATMENT OF CARDIAC ARRHYTHMIAS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-07-01 — — US disclosed
EP-0066415-B1 N-(ARYLTHIOALKYL)-N'-(AMINOALKYL)UREAS A.H. ROBINS COMPANY, INCORPORATED (US) 1985-10-02 — — EP disclosed
EP-0066415-A2 N-(arylthioalkyl)-N'-(aminoalkyl)ureas A.H. ROBINS COMPANY, INCORPORATED (US) 1982-12-08 — — EP 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-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 ALDH1A1 2611/4885POLB 2352/4885MAPT 4324/4885

“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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