SCHEMBL2847417

SCHEMBL2847417

O=C(O)[C@@H]1CCC[C@@H](Sc2ccccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HCRTR2 O43614 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
POLB P06746 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2847414 1.00 ALDH1A1 (0.41) ALDH1A1KMT2ADDB1CRBNHCRTR2
SCHEMBL710906 0.84 ALDH1A1 (0.41) ALDH1A1KMT2ADDB1CRBNHCRTR2
SCHEMBL15271041 0.80 EHMT2 (0.50) ALDH1A1KMT2ADDB1CRBNHCRTR2
SCHEMBL15271518 0.77 EHMT2 (0.50) ALDH1A1KMT2ADDB1CRBNHCRTR2
SCHEMBL28455598 0.75 EHMT2 (0.48) ALDH1A1KMT2ADDB1CRBNHCRTR2
SCHEMBL12949631 0.75 EHMT2 (0.48) ALDH1A1KMT2ADDB1CRBNHCRTR2
SCHEMBL15271760 0.75 EHMT2 (0.48) ALDH1A1KMT2ADDB1CRBNHCRTR2
SCHEMBL2853508 0.74 ELOVL6 (0.47) ALDH1A1KMT2AGRM5LMNASMN1; SMN2
SCHEMBL2853507 0.74 ELOVL6 (0.47) ALDH1A1KMT2AGRM5LMNASMN1; SMN2
SCHEMBL27652249 0.73 CRBN (0.38) ALDH1A1KMT2ADDB1CRBNHCRTR2

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
EP-2236494-B1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD KK (JP) 2016-08-31 EP disclosed
EP-2236494-A1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-10-06 EP disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 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-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE CHRM2, CHRM3, CHRM1 ALDH1A1 1423/4885KMT2A 1869/4885DDB1 4063/4885

“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.