SCHEMBL409365

SCHEMBL409365

C=CCCN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
KMT2A Q03164 7/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.45
MAPT P10636 2/20 0.45
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL10240181 0.84 KMT2A (0.50) NPSR1KMT2ATDP1MEN1ALDH1A1
SCHEMBL24628765 0.83 NPSR1 (0.59) NPSR1KMT2ATDP1MEN1ALDH1A1
SCHEMBL6111591 0.80 S1PR4 (0.62) NPSR1KMT2ATDP1MEN1ALDH1A1
SCHEMBL16975882 0.80 NPSR1 (0.56) NPSR1KMT2ATDP1MEN1ALDH1A1
SCHEMBL11887706 0.77 NPSR1 (0.62) NPSR1KMT2ATDP1MEN1ALDH1A1
SCHEMBL411843 0.77 KMT2A (0.50) NPSR1KMT2ATDP1MEN1ALDH1A1
SCHEMBL10287154 0.76 MAPT (0.43) NPSR1KMT2ATDP1MEN1MAPT
SCHEMBL10312346 0.76 NPSR1 (0.52) NPSR1KMT2ATDP1MEN1ALDH1A1
SCHEMBL15702327 0.75 NPSR1 (0.51) NPSR1KMT2ATDP1MEN1ALDH1A1
SCHEMBL16673663 0.73 KMT2A (0.57) NPSR1KMT2ATDP1MEN1ALDH1A1

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183011-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-22 US disclosed
US-10183011-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-22 US disclosed
US-10172827-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-08 US disclosed
US-10172827-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-08 US disclosed
US-20180318255-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-11-08 US disclosed
EP-2385829-B1 PRO-NEUROGENIC COMPOUNDS UNIV TEXAS (US) 2018-08-01 EP disclosed
US-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-8362277-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US disclosed
US-8362277-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US disclosed
US-8362277-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US disclosed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US disclosed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US disclosed
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO disclosed
US-20110015217-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-20 US disclosed
US-20110015217-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-20 US disclosed
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 US disclosed
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 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 (7 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-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BDNF, GAP43, DCX NPSR1 149/4885KMT2A 3749/4885TDP1 352/4885
US-10172827-B2 Pro-neurogenic compounds DCX, GAP43, BDNF NPSR1 81/4885KMT2A 2693/4885TDP1 2607/4885
US-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX NPSR1 149/4885KMT2A 3749/4885TDP1 352/4885
US-20180318255-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX NPSR1 149/4885KMT2A 3749/4885TDP1 352/4885
US-20110015217-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF NPSR1 81/4885KMT2A 2693/4885TDP1 2607/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 NPSR1 285/4885KMT2A 3598/4885TDP1 346/4885
US-20110003836-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF NPSR1 86/4885KMT2A 2838/4885TDP1 2621/4885

“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.