SCHEMBL10046608

SCHEMBL10046608

C/C(C#N)=C/c1ccc(N2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
MAPT P10636 7/20 0.69
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.50
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
TRIM24 O15164 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
SCHEMBL16312152 0.98 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL255364 0.83 MEN1 (0.97) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL255365 0.83 MEN1 (0.97) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14571074 0.82 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL32675887 0.81 MEN1 (1.00) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13710832 0.78 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL141719 0.77 MAPT (0.63) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15138675 0.77 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL140748 0.77 MAPT (0.63) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10046803 0.77 MEN1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573888-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-02-21 US disclosed
US-20160168083-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-06-16 US disclosed
US-9296728-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-03-29 US disclosed
US-9296728-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-03-29 US disclosed
US-20140371272-A1 THERAPEUTIC COMPOUNDS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2014-12-18 US disclosed
EP-2126625-B1 SYSTEMS AND METHODS FOR IMPROVING THE PERFORMANCE OF A PHOTOREFRACTIVE DEVICE NITTO DENKO CORP (JP) 2012-02-22 EP 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-20140371272-A1 THERAPEUTIC COMPOUNDS HLA-DRB1, SLC10A1, NFATC1 ALDH1A1 266/4885MAPT 3241/4885MEN1 28/4885
US-20160168083-A1 THERAPEUTIC COMPOUNDS HLA-DRB1, SLC10A1, NFATC1 ALDH1A1 359/4885MAPT 3327/4885MEN1 30/4885

“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.