SCHEMBL4512887

SCHEMBL4512887

Cc1cc(N2CCOCC2)c(NC(=O)CN2CCN(CCSc3nc4ccccc4s3)CC2)c(N2CCOCC2)n1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.65
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
USP2 O75604 1/20 0.50
MGLL Q99685 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 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
SCHEMBL4518624 0.93 SOAT1 (0.68) SOAT1LMNASMN1; SMN2NPC1POLB
SCHEMBL4507782 0.84 SOAT1 (0.65) SOAT1MAPTALDH1A1MEN1KMT2A
SCHEMBL4515333 0.84 SOAT1 (0.65) SOAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4521151 0.79 KDM4E (0.44) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6281686 0.79 SOAT1 (1.00) SOAT1LMNASMN1; SMN2NPC1POLB
SCHEMBL4529809 0.79 SOAT1 (0.49) SOAT1MAPTALDH1A1MEN1KMT2A
SCHEMBL1704935 0.78 SOAT1 (0.68) SOAT1ALDH1A1MEN1KMT2AUSP2
SCHEMBL4526617 0.78 SOAT1 (0.67) SOAT1MAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1705508 0.78 SOAT1 (0.67) SOAT1ALDH1A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL6476106 0.78 SOAT1 (0.67) SOAT1ALDH1A1MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
EP-1571144-A1 HYDROXYALKYLATED CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2005-09-07 EP disclosed
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2004-09-09 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 (2 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-20040176593-A1 Hydroxyalkyl cyclic diamine compound DDC, AOC1, ODC1 SOAT1 1314/4885MAPT 4118/4885ALDH1A1 45/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT SOAT1 1023/4885MAPT 4009/4885ALDH1A1 146/4885

“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.