SCHEMBL409582

SCHEMBL409582

Ic1ccc2c(c1)c1cc(I)ccc1n2CC1CO1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
DHFR P00374 1/20 0.51
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HBB P68871 1/20 0.39
DNMT1 P26358 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2B Q13224 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PRNP P04156 1/20 0.32
HTT P42858 2/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TSHR P16473 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15380361 0.79 MAPT (0.65) MAPTDHFRTP53SMN1; SMN2HBB
SCHEMBL17138491 0.79 MAPT (0.65) MAPTDHFRTP53SMN1; SMN2HBB
SCHEMBL411024 0.79 MAPT (1.00) MAPTDHFRTP53SMN1; SMN2HBB
SCHEMBL409340 0.79 MAPT (1.00) MAPTDHFRTP53SMN1; SMN2HBB
SCHEMBL409690 0.79 MAPT (0.65) MAPTDHFRTP53SMN1; SMN2HBB
SCHEMBL409341 0.79 MAPT (1.00) MAPTDHFRTP53SMN1; SMN2HBB
SCHEMBL409581 0.76 MAPT (0.61) MAPTDHFRTP53SMN1; SMN2HBB
SCHEMBL13879045 0.73 MAPT (0.58) MAPTDHFRTP53SMN1; SMN2HBB
SCHEMBL15380614 0.73 MAPT (0.58) MAPTDHFR
SCHEMBL18382523 0.73 MAPT (0.58) MAPTDHFRTP53SMN1; SMN2HBB

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 98 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-20180318255-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-11-08 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-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-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-9884820-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 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
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
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO 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
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 (5 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 MAPT 136/4885DHFR 2444/4885TP53 2285/4885
US-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MAPT 136/4885DHFR 2444/4885TP53 2285/4885
US-20180318255-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MAPT 136/4885DHFR 2444/4885TP53 2285/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 MAPT 142/4885DHFR 2190/4885TP53 2225/4885
US-20110003836-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF MAPT 571/4885DHFR 2447/4885TP53 3195/4885

“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.