SCHEMBL9360759

SCHEMBL9360759

CCCN(CCC)c1ccc(C=C(C#N)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
CISD1 Q9NZ45 1/20 0.56
KDM4E B2RXH2 1/20 0.56
SLC16A3 O15427 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
SLC16A1 P53985 1/20 0.56
GPR35 Q9HC97 1/20 0.56
EGFR P00533 1/20 0.56

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
SCHEMBL9361387 1.00 ALDH1A1 (0.60) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL9361350 0.92 SLC16A3 (0.64) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL9361358 0.92 SLC16A3 (0.64) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL22954004 0.92 SLC16A3 (0.64) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL15138635 0.91 SLC16A3 (0.65) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL18532822 0.90 ALDH1A1 (0.53) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL15138637 0.89 SLC16A3 (0.64) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL17831050 0.89 SLC16A3 (0.64) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL9772881 0.89 SLC16A3 (0.64) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL15132047 0.88 MEN1 (0.76) ALDH1A1MEN1POLBMAPTKMT2A

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-20160168083-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-06-16 US claimed
US-20140371272-A1 THERAPEUTIC COMPOUNDS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2014-12-18 US claimed
EP-2804852-A2 THERAPEUTIC COMPOUNDS Regents Of The University Of Minnesota (US) 2014-11-26 EP claimed
WO-2013109972-A2 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-07-25 WO claimed
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-20140371272-A1 THERAPEUTIC COMPOUNDS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2014-12-18 US disclosed
EP-2804852-A2 THERAPEUTIC COMPOUNDS Regents Of The University Of Minnesota (US) 2014-11-26 EP disclosed
WO-2013109972-A2 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-07-25 WO disclosed
EP-0335641-B1 Organic nonlinear optical substance TEIJIN LTD (JP) 1994-01-05 EP disclosed
US-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 US disclosed
EP-0335641-A2 Organic nonlinear optical substance TEIJIN LIMITED (JP) 1989-10-04 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 266/4885MEN1 28/4885POLB 4590/4885
US-20160168083-A1 THERAPEUTIC COMPOUNDS HLA-DRB1, SLC10A1, NFATC1 ALDH1A1 359/4885MEN1 30/4885POLB 4672/4885

“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.