SCHEMBL18711813

SCHEMBL18711813

CCc1nc2c(c(=O)[nH]1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.54
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ MMP13 P45452 2/20 0.46
▸ LMNA P02545 2/20 0.45
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ SRC P12931 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ SPR P35270 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 1/20 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
SCHEMBL12050029 0.96 POLB (0.52) HPGDPOLBKDM4EMAPTCYP1A2
SCHEMBL9843755 0.83 HPGD (0.59) HPGDPOLBKDM4EMAPTCYP1A2
SCHEMBL31128493 0.83 HPGD (0.51) HPGDPOLBMAPTCYP1A2CYP2C9
SCHEMBL17086607 0.82 HDAC6 (0.50) HPGDPOLBKDM4ECYP1A2CYP2C9
SCHEMBL14638381 0.82 PARP1 (0.54) HPGDPOLBKDM4EMAPTCYP1A2
SCHEMBL9844062 0.80 HPGD (0.56) HPGDPOLBKDM4EMAPTCYP1A2
SCHEMBL1082422 0.79 HPGD (0.55) HPGDPOLBMAPTCYP1A2CYP2C9
SCHEMBL6930694 0.79 HDAC6 (0.54) HPGDPOLBKDM4EMAPTCYP1A2
SCHEMBL14637875 0.79 PARP1 (0.50) HPGDPOLBKDM4EMAPTCYP1A2
SCHEMBL5228377 0.78 HTR2C (0.49) HPGDPOLBCYP2C19L3MBTL1PARP1

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-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

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 HPGD 36/4885POLB 2800/4885KDM4E 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.

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