SCHEMBL6280133

SCHEMBL6280133

CCSc1cc(C)nc(SCC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 14/20 0.81
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4513200 0.89 SOAT1 (1.00) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL6282168 0.88 SOAT1 (0.81) SOAT1POLB
SCHEMBL6281841 0.87 SOAT1 (0.78) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6282089 0.86 SOAT1 (0.77) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL6391904 0.86 SOAT1 (0.61) SOAT1ALDH1A1
SCHEMBL6283739 0.85 SOAT1 (0.60) SOAT1ALDH1A1
SCHEMBL6279639 0.85 SOAT1 (0.59) SOAT1
SCHEMBL6286182 0.85 SOAT1 (0.91) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL4990202 0.84 SOAT1 (0.58) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6285210 0.84 SOAT1 (0.58) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 SOAT1 5/4885ALDH1A1 307/4885POLB 1313/4885

“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.