SCHEMBL3021592

SCHEMBL3021592

CN(C)Cc1c(-c2cccc(Br)c2)nc2ccc(Cl)cn12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.70
▸ PSMD14 O00487 2/20 0.63
▸ SLC2A1 P11166 3/20 0.63
▸ POLB P06746 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TRPA1 O75762 3/20 0.48
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ PRNP P04156 1/20 0.45
▸ NR1I2 O75469 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ TSPO P30536 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ OPRM1 P35372 1/20 0.43

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
SCHEMBL3027889 0.81 PSMD14 (0.59) PSMD14GABRA2GABRB2NR1I2ABCB11
SCHEMBL3022537 0.80 GABRA2 (0.66) PSMD14GABRA2GABRB2NR1I2ABCB11
Acetamide SCHEMBL3026879 0.79 PSMD14 (0.58) PSMD14GABRA2GABRB2NR1I2ABCB11
SCHEMBL17718869 0.77 SLC2A1 (1.00) ALDH1A1SLC2A1POLBKDM4ENPC1
SCHEMBL15331333 0.75 PSMD14 (0.53) ALDH1A1PSMD14POLBKDM4ENPC1
SCHEMBL3026882 0.70 PSMD14 (0.48) ALDH1A1PSMD14SLC2A1POLBHTT
SCHEMBL1430426 0.69 SLC2A1 (0.59) ALDH1A1SLC2A1KDM4EHTTGABRA2
SCHEMBL1692145 0.69 ALDH1A1 (0.58) ALDH1A1SLC2A1KDM4EHTTGABRA2
SCHEMBL2792359 0.68 ALDH1A1 (0.68) ALDH1A1SLC2A1POLBKDM4ENPC1
Hydrochloric Acid SCHEMBL1430111 0.68 SLC2A1 (0.58) ALDH1A1SLC2A1KDM4EHTTGABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2752415-B1 Fluorinated ligands for targeting peripheral benzodiazepine receptors AUSTRALIAN NUCLEAR SCIENCE & TECH ORGANISATION (AU) 2017-10-11 — — EP disclosed
EP-2752415-A1 Fluorinated ligands for targeting peripheral benzodiazepine receptors AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) 2014-07-09 — — EP disclosed
US-20100209345-A1 Fluorinated Ligands for Targeting Peripheral Benzodiazepine Receptors AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION 2010-08-19 — — 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 (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-20100209345-A1 Fluorinated Ligands for Targeting Peripheral Benzodiazepine Receptors GABRA6, GABRA1, GABRA2 ALDH1A1 1948/4885PSMD14 4214/4885SLC2A1 1796/4885

“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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