SCHEMBL29896410

SCHEMBL29896410

O=c1c2c[nH]c3ccccc3c-2nn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CNR2 P34972 2/20 0.45
▸ GRM4 Q14833 1/20 0.45
▸ AURKA O14965 1/20 0.44
▸ PDGFRB P09619 1/20 0.43
▸ SIRT2 Q8IXJ6 3/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ CCNE2 O96020 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ PRKCG P05129 1/20 0.43
▸ PRKCB P05771 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCNB1 P14635 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
SCHEMBL1466280 1.00 ALDH1A1 (0.50) ALDH1A1NPSR1GAACNR2GRM4
SCHEMBL7308514 0.89 GAA (0.51) ALDH1A1NPSR1GAAAURKAPDGFRB
SCHEMBL7306658 0.89 PDPK1 (0.42) ALDH1A1GAACNR2PDGFRBSIRT2
SCHEMBL7308745 0.89 AR (0.41) ALDH1A1GAAPDGFRBSIRT2SIRT1
SCHEMBL5773359 0.88 HTT (0.53) ALDH1A1NPSR1GAAKMT2AMAPT
SCHEMBL12468985 0.87 ALDH1A1 (0.46) ALDH1A1NPSR1GAACNR2AURKA
SCHEMBL1466285 0.86 PDGFRB (0.51) ALDH1A1NPSR1GAAAURKAPDGFRB
SCHEMBL5778055 0.86 ALDH1A1 (0.40) ALDH1A1CNR2GRM4AURKAPDGFRB
SCHEMBL7313954 0.86 PSMB5 (0.41) ALDH1A1GAACNR2AURKAPDGFRB
Hydrochloric Acid SCHEMBL11046926 0.86 TDO2 (0.43) ALDH1A1GRM4PDGFRBSIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427582-B2 Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use UWM RESEARCH FOUNDATION, INC. (US) 2022-08-30 — — 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-11427582-B2 Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use GABRA6, HTR6, GABRD ALDH1A1 647/4885NPSR1 28/4885GAA 709/4885

“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.

Send feedback