SCHEMBL4923713

SCHEMBL4923713

O=C(NN=CCCc1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 6/20 0.54
POLB P06746 4/20 0.53
GAA P10253 2/20 0.51
ASF1A Q9Y294 1/20 0.51
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GPR52 Q9Y2T5 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
HDAC1 Q13547 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4923704 1.00 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL2993484 0.90 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29786246 0.90 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL10147915 0.90 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL2993486 0.90 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10220038 0.86 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL17541218 0.83 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11302626 0.83 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12838364 0.82 GAA (0.74) SMN1; SMN2ALDH1A1KMT2AHPGDKDM4E
SCHEMBL11300020 0.82 GAA (0.74) SMN1; SMN2ALDH1A1KMT2AHPGDKDM4E

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-8642798-B2 Silacycle compounds and methods of use thereof THE TRUSTEE OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-02-04 US disclosed
US-20080167468-A1 using the diastereomeric mixture of Silacycle Compounds for stereoselective synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-07-10 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-20080167468-A1 using the diastereomeric mixture of Silacycle Compounds for stereoselective synthesis LSS, CYP51A1, DHPS SMN1; SMN2 4380/4885ALDH1A1 1620/4885MEN1 741/4885

“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.