SCHEMBL18721925

SCHEMBL18721925

Nc1ccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.77
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
P2RX3 P56373 1/20 0.50
BAX Q07812 1/20 0.49
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 1/20 0.46
RAD52 P43351 1/20 0.46
TSPO P30536 1/20 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
SCHEMBL410692 0.92 DNM1 (0.85) DNM1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL408405 0.87 DNM1 (0.77) DNM1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL410581 0.87 DNM1 (0.77) DNM1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL29391692 0.87 DNM1 (1.00) DNM1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL29351340 0.87 DNM1 (1.00) DNM1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL410147 0.87 DNM1 (1.00) DNM1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL18721786 0.86 DNM1 (0.76) DNM1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL18925966 0.85 DNM1 (0.73) DNM1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL409971 0.85 DNM1 (0.77) DNM1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL407885 0.85 DNM1 (0.73) DNM1MAPTSMN1; SMN2HTTNPSR1

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 6 patents. 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-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-9884820-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 US disclosed
US-20170157092-A1 Anti-depression Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-08 US disclosed
US-9616048-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-11 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 (3 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-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX DNM1 897/4885MAPT 136/4885SMN1; SMN2 50/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 DNM1 638/4885MAPT 142/4885SMN1; SMN2 63/4885
US-20170157092-A1 Anti-depression Compounds BDNF, DCX, GAP43 DNM1 638/4885MAPT 142/4885SMN1; SMN2 63/4885

“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.