SCHEMBL10161108

SCHEMBL10161108

C[C@H]1OC(C)(C)O[C@@H]1[C@H]1CNc2nc(N)[nH]c(=O)c2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 9/20 0.51
▸ NOS3 P29474 2/20 0.51
▸ NOS2 P35228 2/20 0.51
▸ USP2 O75604 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PAH P00439 1/20 0.40
▸ SOST Q9BQB4 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ FPGS Q05932 2/20 0.31

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
SCHEMBL13388962 1.00 NOS1 (0.51) NOS1NOS3NOS2USP2CASP7
SCHEMBL25737619 0.83 NOS1 (0.53) NOS1NOS3NOS2USP2CASP7
SCHEMBL584982 0.74 NOS1 (0.64) NOS1NOS3NOS2USP2CASP7
Hydrochloric Acid SCHEMBL16741181 0.73 NOS1 (0.62) NOS1NOS3NOS2USP2CASP7
SCHEMBL2044797 0.66 NOS1 (0.78) NOS1NOS3NOS2USP2CASP7
SCHEMBL9248337 0.66 NOS1 (0.72) NOS1NOS3NOS2USP2CASP7
SCHEMBL4649233 0.66 NOS1 (0.72) NOS1NOS3NOS2USP2CASP7
SCHEMBL4649231 0.66 NOS1 (0.72) NOS1NOS3NOS2USP2CASP7
SCHEMBL19410958 0.65 NOS1 (0.59) NOS1NOS3NOS2USP2CASP7
SCHEMBL10615701 0.65 NOS1 (0.71) NOS1NOS3NOS2USP2CASP7

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-8324210-B2 Pterin analogs BIOMARIN PHARMACEUTICAL, INC. (US) 2012-12-04 — — US disclosed
US-20120022072-A1 PTERIN ANALOGS BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-26 — — US disclosed
US-20100093742-A1 PTERIN ANALOGS BIOMARIN PHARMACEUTICAL, INC. (US) 2010-04-15 — — US disclosed
US-20100016328-A1 PTERIN ANALOGS BIOMARIN PHARMACEUTICAL, INC. (US) 2010-01-21 — — US disclosed
US-7601717-B2 Pterin analogs BIOMARIN PHARMACEUTICAL INC. (US) 2009-10-13 — — US disclosed
US-20090176790-A1 For treating conditions responsive to tetrahydrobiopterin therapies BIOMARIN PHARMACEUTICAL INC. (US) 2009-07-09 — — 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 (4 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-20100093742-A1 PTERIN ANALOGS DHFR, MTHFD2, HMBS NOS1 1799/4885NOS3 1732/4885NOS2 1578/4885
US-20100016328-A1 PTERIN ANALOGS DHFR, MTHFD2, HMBS NOS1 1799/4885NOS3 1732/4885NOS2 1578/4885
US-20120022072-A1 PTERIN ANALOGS DHFR, MTHFD2, HMBS NOS1 1799/4885NOS3 1732/4885NOS2 1578/4885
US-20090176790-A1 For treating conditions responsive to tetrahydrobiopterin therapies TPMT, LTB4R2, BDKRB2 NOS1 942/4885NOS3 920/4885NOS2 757/4885

“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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