SCHEMBL21616830

SCHEMBL21616830

O=c1oc2cc(Br)ccc2n1CCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.63
▸ TMEM97 Q5BJF2 3/20 0.61
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL21616820 0.92 TMEM97 (0.62) SIGMAR1TMEM97NPC1
SCHEMBL21616834 0.92 TMEM97 (0.62) SIGMAR1TMEM97
SCHEMBL12124611 0.81 SIGMAR1 (0.63) SIGMAR1TMEM97KMT2A
SCHEMBL12124517 0.79 — —
SCHEMBL31757917 0.78 TMEM97 (0.57) SIGMAR1TMEM97KMT2A
SCHEMBL31033181 0.78 SIGMAR1 (1.00) SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL28948352 0.77 NPC1 (0.59) SIGMAR1NPC1ALDH1A1LMNAPKM
SCHEMBL12124423 0.77 SIGMAR1 (0.71) SIGMAR1TMEM97ALDH1A1HPGD
SCHEMBL6408326 0.76 TMEM97 (0.72) SIGMAR1TMEM97
SCHEMBL12061417 0.75 NPC1 (0.64) SIGMAR1NPC1ALDH1A1LMNAPKM

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-20210230131-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU) (FR) 2021-07-29 — — US disclosed
EP-3820862-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-05-19 — — EP disclosed
WO-2020011848-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-01-16 — — WO disclosed
WO-2020011848-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-01-16 — — 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-20210230131-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE ABCG2, SLC10A1, CYP3A43 SIGMAR1 148/4885TMEM97 1765/4885NPC1 88/4885

“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.

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