SCHEMBL2287690

SCHEMBL2287690

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
LMNA P02545 5/20 0.58
MAPT P10636 12/20 0.51
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
SCN1A P35498 3/20 0.51
SCN2A Q99250 3/20 0.51
SCN3A Q9NY46 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
BLM P54132 1/20 0.50
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
NPC1 O15118 7/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.48
NFKB1 P19838 2/20 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
SCHEMBL12417395 1.00 ALDH1A1 (0.58) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2287687 1.00 ALDH1A1 (0.58) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL13366991 0.95 ALDH1A1 (0.55) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL12377940 0.94 ALDH1A1 (0.53) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL12415060 0.94 MAPT (0.61) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL12415064 0.94 MAPT (0.58) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL12415063 0.93 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL10120103 0.93 MAPT (0.64) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL12414672 0.93 TP53 (0.55) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL12415061 0.90 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308539-A1 AFFINITY-TAGGED PHOTOSWITCHES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-01 US disclosed
US-9688617-B2 Photoreactive synthetic regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-27 US disclosed
US-9688617-B2 Photoreactive synthetic regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-27 US disclosed
US-20160229794-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-08-11 US disclosed
US-9334231-B2 Photoreactive synthetic regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-10 US disclosed
US-9334231-B2 Photoreactive synthetic regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-10 US disclosed
US-20150158811-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-11 US disclosed
US-20150158811-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-11 US disclosed
US-8993736-B2 Photoreactive synthetic regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-31 US disclosed
US-20110207213-A1 Photoreactive Synthetic Regulator of Protein Function and Methods of Use Thereof ENERGY, UNITED STATES DEPARTMENT OF 2011-08-25 US disclosed
US-20110207213-A1 Photoreactive Synthetic Regulator of Protein Function and Methods of Use Thereof ENERGY, UNITED STATES DEPARTMENT OF 2011-08-25 US disclosed
WO-2010051343-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-06 WO disclosed
WO-2010051343-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-06 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 (4 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-20150158811-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF PPP1R10, PPP6R1, PPP6R3 ALDH1A1 4830/4885LMNA 4385/4885MAPT 4166/4885
US-20160229794-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF PPP1R10, PPP6R1, PPP6R3 ALDH1A1 4830/4885LMNA 4385/4885MAPT 4166/4885
US-20200308539-A1 AFFINITY-TAGGED PHOTOSWITCHES AND METHODS OF USE THEREOF CD2BP2, AGBL2, CLTB ALDH1A1 4367/4885LMNA 4187/4885MAPT 3741/4885
US-20110207213-A1 Photoreactive Synthetic Regulator of Protein Function and Methods of Use Thereof PPP1R10, PPP6R1, PPP6R3 ALDH1A1 4830/4885LMNA 4385/4885MAPT 4166/4885

“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.