SCHEMBL9706128

SCHEMBL9706128

CNc1ccc(C)cc1N=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAPGEF4 Q8WZA2 2/20 0.35
▸ HTT P42858 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ EDNRB P24530 1/20 0.33
▸ EDNRA P25101 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL10284425 0.85 GAA (0.41) HPGDGAACYP1A2CYP2C9CYP2C19
SCHEMBL8000704 0.79 HPGD (0.37) HPGDGAACYP1A2CYP2C9CYP2C19
SCHEMBL13060991 0.79 HPGD (0.37) HPGDGAACYP1A2CYP2C9CYP2C19
SCHEMBL18077360 0.78 KDM4E (0.49) HPGDGAAMEN1KMT2ALMNA
SCHEMBL13879940 0.78 SIGMAR1 (0.37) HPGDGAAMEN1KMT2AHTT
SCHEMBL18474287 0.78 PRKCI (0.38) GAACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL13689913 0.78 HTT (0.36) GAAMEN1KMT2AHTTLMNA
SCHEMBL12889181 0.77 HPGD (0.45) HPGDGAACYP1A2CYP2C9CYP2C19
SCHEMBL11855115 0.75 NPC1 (0.42) HPGDGAACYP1A2MEN1KMT2A
SCHEMBL10314645 0.75 ALDH1A1 (0.36) HPGDKDM4ESMN1; SMN2ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 — — US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 — — US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 — — US disclosed
EP-0238459-B1 SUBSTITUTED INDOLOQUINOXALINES Lundblad, Leif (SE) 1992-04-15 — — EP disclosed
US-4990510-A Viricides, anticancer agents LEIF LUNDBLAD (BE) 1991-02-05 — — US disclosed
EP-0238459-A1 Substituted indoloquinoxalines Lundblad, Leif (SE) 1987-09-23 — — EP disclosed
WO-1987004436-A1 SUBSTITUTED INDOLOQUINOXALINES LUNDBLAD, LEIF (SE) 1987-07-30 — — 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 (2 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 HPGD 2801/4885GAA 4623/4885CYP1A2 65/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 HPGD 2801/4885GAA 4623/4885CYP1A2 65/4885

“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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