SCHEMBL3943401

SCHEMBL3943401

Nc1ncc2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.56
▸ NOS1 P29475 2/20 0.46
▸ NOS2 P35228 2/20 0.46
▸ CLK1 P49759 4/20 0.46
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ NOS3 P29474 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RECQL P46063 1/20 0.45

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
SCHEMBL27335197 0.80 PDE10A (0.56) PDE10ANOS1NOS2MEN1KMT2A
SCHEMBL27981595 0.80 PDE10A (0.56) PDE10ANOS1NOS2MEN1KMT2A
SCHEMBL29801038 0.77 PDE10A (0.60) PDE10ANOS1NOS2MEN1KMT2A
SCHEMBL29253980 0.77 PDE10A (0.60) PDE10ANOS1NOS2MEN1KMT2A
SCHEMBL30033520 0.76 PDE10A (0.59) PDE10ANOS1NOS2MEN1KMT2A
Hydrochloric Acid SCHEMBL9674734 0.75 PDE10A (0.58) PDE10ANOS1NOS2MEN1KMT2A
SCHEMBL28282006 0.75 PDE10A (0.62) PDE10ANOS1NOS2MEN1KMT2A
SCHEMBL11326420 0.74 PDE10A (0.61) PDE10ANOS1NOS2MEN1KMT2A
SCHEMBL27798082 0.73 GSK3B (0.64) PDE10ACLK1MEN1KMT2AMAPT
SCHEMBL30995668 0.72 CLK1 (0.47) CLK1MAPTKDM4ETDP1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 — — US disclosed
CN-101489989-A Pentadiene amide derivative KYOWA HAKKO KIRIN CO LTD (JP) 2009-07-22 — — CN disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 — — EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 PDE10A 1458/4885NOS1 95/4885NOS2 302/4885

“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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