SCHEMBL23610345

SCHEMBL23610345

Nc1nc(-c2ccc3ccccc3c2)c(Br)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
AR P10275 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
FBP1 P09467 1/20 0.45
CYP1A2 P05177 4/20 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
SCHEMBL13753699 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL1256622 0.80 MAPT (0.63) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL31378008 0.80 CD274 (0.56) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL23610359 0.80 MPL (0.57) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL23610341 0.80 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL28651159 0.77 MPL (0.50) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL23618156 0.76 MPL (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL10154437 0.76 MAPT (0.60) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL18042050 0.75 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL12495322 0.75 RORB (0.53) ALDH1A1MAPTMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240390333-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIV AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-11-28 US disclosed
US-11974988-B2 Neuroprotective compositions and methods of using the same BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-05-07 US disclosed
US-20210205275-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2021-07-08 US disclosed
US-20210205275-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2021-07-08 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-20210205275-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME GAP43, NLN, SMN1; SMN2 ALDH1A1 1731/4885MAPT 24/4885KDM4E 3736/4885
US-11974988-B2 Neuroprotective compositions and methods of using the same GAP43, NLN, SMN1; SMN2 ALDH1A1 1731/4885MAPT 24/4885KDM4E 3736/4885
US-20240390333-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME GAP43, NLN, SMN1; SMN2 ALDH1A1 1731/4885MAPT 24/4885KDM4E 3736/4885

“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.