SCHEMBL10120103

SCHEMBL10120103

CC[N+](CC)(CC)CC(=O)Nc1ccc(/N=N/c2ccc(NC(=O)CCl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.64
KMT2A Q03164 8/20 0.64
ALDH1A1 P00352 7/20 0.64
MEN1 O00255 7/20 0.64
LMNA P02545 5/20 0.64
HTT P42858 2/20 0.64
KDM4E B2RXH2 1/20 0.64
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
MITF O75030 2/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOD2 Q9HC29 1/20 0.50
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 8/20 0.45

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
SCHEMBL12417395 0.93 ALDH1A1 (0.58) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL2287690 0.93 ALDH1A1 (0.58) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL2287687 0.93 ALDH1A1 (0.58) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL13366991 0.88 ALDH1A1 (0.55) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL12415060 0.87 MAPT (0.61) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL12415064 0.87 MAPT (0.58) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL12377940 0.87 ALDH1A1 (0.53) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL12415063 0.86 ALDH1A1 (0.52) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL12414672 0.86 TP53 (0.55) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL12414673 0.83 L3MBTL1 (0.51) MAPTKMT2AALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9629911-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 US disclosed
US-9097707-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-20130137113-A1 Photoreactive Regulator of Protein Function and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 US disclosed
US-8309350-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-13 US disclosed
US-20120190094-A1 Photoreactive Regulator of Protein Function and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-07-26 US disclosed
US-8114843-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-14 US disclosed
US-8114843-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-14 US disclosed
US-20070128662-A1 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-06-07 US disclosed
US-20070128662-A1 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-06-07 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-20070128662-A1 Photoreactive regulator of protein function and methods of use thereof PPP1R10, PPP6R3, ANKRD52 MAPT 4329/4885KMT2A 4242/4885ALDH1A1 4688/4885

“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.