SCHEMBL3828458

SCHEMBL3828458

O=C(C1CCCC1)N1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 3/20 0.49
GBA1 P04062 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
MET P08581 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44

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
SCHEMBL20037655 0.83 KDM4E (0.53) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL3828582 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL936573 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL20037666 0.81 KDM4E (0.62) ALDH1A1KMT2AMEN1KDM4EHSD17B10
SCHEMBL937273 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL3827722 0.79 KDM4E (0.43) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL20037518 0.78 BPTF (0.56) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL24313309 0.75 AKR1C3 (0.60) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL20038319 0.75 KDM4E (0.49) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL29593660 0.75 AKR1C3 (0.60) ALDH1A1KMT2AMAPTMEN1TSHR

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
CN-101583600-A Acetylene derivatives as stearoyl-CoA desaturase inhibitors GLENMARK PHARMACEUTICALS SA (CH) 2009-11-18 CN disclosed
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA ALDH1A1 578/4885KMT2A 2996/4885MAPT 2813/4885

“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.