Sugi Predict

Sugi Predict / Compounds / SCHEMBL6631371

SCHEMBL6631371

SCHEMBL6631371

Cc1ccc(NN)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.59
▸ CYP2A6 P11509 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ IDO1 P14902 5/20 0.38
▸ TSHR P16473 2/20 0.37
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36

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
Tert-Butyl Formate SCHEMBL28775433 0.82 CYP1A2 (0.39) CYP1A2CYP2A6ALDH1A1SLC40A1TDP1
SCHEMBL19849964 0.81 CYP1A2 (0.65) CYP1A2CYP2A6ALDH1A1SLC40A1TDP1
SCHEMBL1755235 0.79 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1SLC40A1TDP1
SCHEMBL1921284 0.77 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1SLC40A1TDP1
SCHEMBL7977397 0.77 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1SLC40A1MAPT
SCHEMBL29363045 0.77 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TDP1MAPT
SCHEMBL161370 0.77 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TDP1MAPT
SCHEMBL29447796 0.77 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TDP1MAPT
SCHEMBL1921282 0.76 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1TDP1MAPT
SCHEMBL16542380 0.75 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1SLC40A1MAPT

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
CN-109179572-B Oil gelling agent containing glucosyl phase selective supramolecule and preparation method and application thereof 浙江海洋大学 2021-05-18 — — CN disclosed
CN-109179572-A A kind of fuel thickener and its preparation method and application of the supermolecule of phase selectivity containing glucosyl group 浙江海洋大学 2019-01-11 — — CN disclosed
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles BAYER CROP SCIENCE AG (DE) 2011-08-04 — — US disclosed
EP-0894799-B1 INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES (JP) 2004-04-07 — — EP disclosed
US-6156762-A Indolomorphinan derivative and agent for curing and preventing cerebral disorder TORAY INDUSTRIES, INC. (JP) 2000-12-05 — — US disclosed
EP-0894799-A1 INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES, INC. (JP) 1999-02-03 — — 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-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles CYP4X1, CYP4B1, CYP3A4 CYP1A2 15/4885CYP2A6 283/4885ALDH1A1 1129/4885

“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.