SCHEMBL6282774

SCHEMBL6282774

CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ncccc3[nH]2)CC1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 10/20 0.78
LMNA P02545 1/20 0.49
GRIN2B Q13224 2/20 0.47
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ENPP1 P22413 1/20 0.42

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
SCHEMBL29845569 0.88 SOAT1 (1.00) SOAT1LMNAGRIN2BRAB9ASMN1; SMN2
SCHEMBL960484 0.88 SOAT1 (1.00) SOAT1LMNAGRIN2BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1704627 0.87 SOAT1 (1.00) SOAT1LMNAGRIN2BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29972967 0.87 SOAT1 (1.00) SOAT1LMNAGRIN2BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6283825 0.87 SOAT1 (1.00) SOAT1LMNAGRIN2BRAB9ASMN1; SMN2
SCHEMBL6279700 0.84 SOAT1 (0.84) SOAT1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL6279708 0.84 SOAT1 (0.83) SOAT1LMNAPOLBNPC1RAB9A
SCHEMBL282683 0.83 SOAT1 (1.00) SOAT1LMNAPOLB
SCHEMBL6760737 0.82 SOAT1 (0.79) SOAT1POLBKMT2ANPC1HPGD
SCHEMBL6760738 0.81 SOAT1 (0.78) SOAT1LMNAPOLBNPC1RAB9A

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 2 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
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 SOAT1 5/4885LMNA 4085/4885GRIN2B 2003/4885

“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.