SCHEMBL8612141

SCHEMBL8612141

N#Cc1ccc(S(=O)(=O)NCCOCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP19A1 P11511 2/20 0.54
LSS P48449 2/20 0.48
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL2064469 0.85 CYP19A1 (0.63) ALDH1A1CYP19A1LSSMAPTCYP2C19
SCHEMBL1714909 0.81 CYP19A1 (0.58) ALDH1A1CYP19A1LSSMAPTKDM4E
SCHEMBL7776599 0.81 ALDH1A1 (0.84) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL23476689 0.81 ALDH1A1 (0.59) ALDH1A1CYP19A1MAPTKDM4ENPC1
SCHEMBL5893917 0.81 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL30325135 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL26219802 0.79 ALDH1A1 (0.82) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL30325179 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL30325258 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL15947351 0.79 ALDH1A1 (0.57) ALDH1A1CYP19A1MAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 ALDH1A1 291/4885CYP19A1 800/4885LSS 4605/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 ALDH1A1 291/4885CYP19A1 800/4885LSS 4605/4885

“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.