SCHEMBL17298034

SCHEMBL17298034

CCc1cc(=O)n2cc(OC)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.59
▸ KDM4E B2RXH2 8/20 0.50
▸ MAPT P10636 8/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ METTL3 Q86U44 1/20 0.46
▸ RXFP1 Q9HBX9 3/20 0.44
▸ AHR P35869 1/20 0.44
▸ GRIN1 Q05586 2/20 0.43
▸ GRIN2A Q12879 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TP53 P04637 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
SCHEMBL19104683 0.85 PKM (0.56) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19116406 0.85 PKM (0.56) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL26584231 0.80 PKM (0.50) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL17298042 0.80 GRIN1 (0.62) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL23414858 0.79 METTL3 (0.51) KDM4EMAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL17297994 0.79 KDM4E (0.55) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL17297993 0.79 PSD (0.57) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL26120142 0.79 PKM (0.49) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL17298041 0.79 GRIN1 (0.55) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL26119458 0.79 PKM (0.52) PKMKDM4EMAPTALDH1A1SMN1; SMN2

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-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2017-07-13 — — US disclosed
WO-2015184011-A2 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-03 — — 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-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 PKM 4145/4885KDM4E 4185/4885MAPT 4140/4885

“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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