SCHEMBL89746

SCHEMBL89746

COCCCOc1nc(Cl)ncc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.36
TSHR P16473 1/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIN1 Q13526 4/20 0.34
TNF P01375 1/20 0.33
PLAU P00749 1/20 0.31
CHRM4 P08173 1/20 0.30
GAA P10253 1/20 0.30
RPS6KA5 O75582 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL89379 0.82 LMNA (0.40) NUDT1TSHR
SCHEMBL19675768 0.82 NUDT1 (0.38) NUDT1RXRAGRIN1GRIN2BALDH1A1
SCHEMBL2393577 0.79 RXRA (0.38) NUDT1RXRAGRIN1GRIN2BALDH1A1
SCHEMBL1911341 0.79 NUDT1 (0.58) NUDT1TSHRPIN1DHFR
SCHEMBL1996295 0.77 ALDH1A1 (0.44) NUDT1RXRAGRIN1GRIN2BALDH1A1
SCHEMBL22895389 0.75 TSHR (0.41) NUDT1TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL21867422 0.72 ALDH1A1 (0.44) TSHRALDH1A1KDM4ESMN1; SMN2PIN1
SCHEMBL19171967 0.72 TSHR (0.39) TSHRALDH1A1KDM4ESMN1; SMN2PIN1
SCHEMBL20733627 0.72 RPS6KA5 (0.36) NUDT1RXRAGRIN1GRIN2BALDH1A1
SCHEMBL15578234 0.72 SMN1; SMN2 (0.36) SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 NUDT1 281/4885TSHR 1095/4885RXRA 2708/4885

“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.