SCHEMBL21243723

SCHEMBL21243723

Nc1ccc(-c2cccc(Br)c2)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
HK1 P19367 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
IKBKB O14920 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BACE1 P56817 2/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42

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
SCHEMBL21223518 0.79 DHFR (0.61) RAB9ANPC1BACE1ADORA2AADORA1
SCHEMBL21223550 0.77 BACE1 (0.44) KDM4ESMN1; SMN2RXFP1ALDH1A1RAB9A
SCHEMBL2174430 0.77 FGFR1 (0.49) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL1388335 0.76 DHFR (0.67) KDM4ESMN1; SMN2RXFP1ALDH1A1HPGD
SCHEMBL1388587 0.73 DHFR (0.60) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL10686271 0.72 MAPT (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL19721378 0.71 KMT2A (0.47) KDM4ESMN1; SMN2RXFP1ALDH1A1HPGD
SCHEMBL29122472 0.71 IKBKB (0.51) KDM4ESMN1; SMN2RXFP1ALDH1A1HPGD
SCHEMBL30676535 0.71 IKBKB (0.51) KDM4ESMN1; SMN2RXFP1ALDH1A1HPGD
SCHEMBL6011288 0.70 KDM4E (0.46) KDM4ESMN1; SMN2RXFP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 WO 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 (1 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 KDM4E 2441/4885SMN1; SMN2 861/4885RXFP1 2720/4885

“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.