SCHEMBL18689656

SCHEMBL18689656

O=C(O)c1cccc(-c2nc3c(c(=O)[nH]2)CCC3)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 5/20 0.70
MTHFD2 P13995 6/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN1 P18031 1/20 0.49
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
WNT3A P56704 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
ADORA2B P29275 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
PKM P14618 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
SCHEMBL18702374 0.82 SPR (1.00) SPRMTHFD2KDM4EALDH1A1HPGD
SCHEMBL9070566 0.82 TNKS (0.63) SPRMTHFD2KDM4EALDH1A1HPGD
SCHEMBL15661448 0.81 HPGD (0.54) SPRKDM4EALDH1A1HPGDNPC1
SCHEMBL1032502 0.80 TNKS2 (0.68) SPRMTHFD2KDM4EALDH1A1HPGD
SCHEMBL15660095 0.78 LMNA (0.57) SPRKDM4EALDH1A1HPGDNPC1
SCHEMBL18689683 0.78 SPR (1.00) SPR
SCHEMBL18689580 0.76 SPR (0.74) SPRMTHFD2KDM4EALDH1A1HPGD
SCHEMBL1034182 0.74 TNKS2 (0.54) SPRMTHFD2KDM4EALDH1A1HPGD
SCHEMBL1033822 0.73 TNKS2 (0.55) MTHFD2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23976281 0.71 SPR (0.58) SPRKDM4EALDH1A1HPGDTSHR

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
EP-3356345-A1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 EP disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR SPR 1/4885MTHFD2 465/4885KDM4E 2294/4885

“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.