Sugi Predict

Sugi Predict / Compounds / SCHEMBL3854784

SCHEMBL3854784

SCHEMBL3854784

Cc1nc2ccccc2c2ccc(F)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.66
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NUDT1 P36639 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ MPO P05164 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ ADORA2A P29274 2/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ PLA2G2A P14555 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ APAF1 O14727 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL3259024 0.81 GPR3 (0.70) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL85621 0.80 GPR3 (1.00) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL29539036 0.79 GPR3 (0.66) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL30659937 0.79 GPR3 (0.66) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL12480311 0.79 KMT2A (0.41) GPR3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30659940 0.79 GPR3 (0.66) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL12481032 0.79 MAOA (0.44) GPR3MEN1KMT2AKDM4EL3MBTL1
SCHEMBL5212065 0.79 GPR3 (0.66) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL18771828 0.79 GPR3 (0.66) GPR3ALDH1A1CYP1A2HPGDNUDT1
Hydrochloric Acid SCHEMBL3907848 0.78 GPR3 (0.95) GPR3ALDH1A1CYP1A2HPGDNUDT1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045496-B Method for selectively synthesizing dihydrophenanthridine or phenanthridine compounds 河南师范大学 2022-04-26 — — CN disclosed
CN-110563649-B High-selectivity deuteration method of 2-methyl nitrogen heterocyclic compound 浙江工业大学 2021-07-27 — — CN disclosed
CN-110563649-A high-selectivity deuteration method of 2-methyl nitrogen heterocyclic compound 浙江工业大学 2019-12-13 — — CN disclosed
US-7585871-B2 4-{[(6R)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 3-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 4-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; cytokine expression WYETH (US) 2009-09-08 — — US disclosed
US-7555415-B2 Methods for the design of estrogen receptor ligands WYETH (US) 2009-06-30 — — US disclosed
US-7378427-B2 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2008-05-27 — — US disclosed
US-7378427-B2 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2008-05-27 — — US disclosed
US-7378427-B2 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2008-05-27 — — US disclosed
CN-101142235-A Estrogen receptor structures WYETH CORP (US) 2008-03-12 — — CN disclosed
US-7304073-B2 Method of treating myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2007-12-04 — — US disclosed
EP-1567502-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES Wyeth (US) 2005-08-31 — — EP disclosed
US-20050119276-A1 Methods of treating inflammatory bowel disease using NF-kB inhibitors WYETH (US) 2005-06-02 — — US disclosed
US-20050119324-A1 Methods of treating atherosclerosis using NF-kB inhibitors WYETH (US) 2005-06-02 — — US disclosed
US-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors WYETH (US) 2005-05-26 — — US disclosed
US-6894061-B2 Substituted dihydrophenanthridinesulfonamides WYETH (US) 2005-05-17 — — US disclosed
WO-2005039583-A1 METHOD OF TREATING RHEUMATOID ARTHRITIS USING NF-kB INHIBITORS WYETH (US) 2005-05-06 — — WO disclosed
WO-2005039581-A1 USE OF ESTROGEN RECEPTOR LIGANDS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE WYETH (US) 2005-05-06 — — WO disclosed
WO-2005039582-A1 METHODS OF TREATING ATHEROSCLEROSIS USING NF-kB INHIBITORS WYETH (US) 2005-05-06 — — WO disclosed
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides WYETH 2004-08-26 — — US disclosed
WO-2004050631-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH (US) 2004-06-17 — — 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 (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-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG GPR3 1450/4885ALDH1A1 2079/4885CYP1A2 2209/4885
US-20050119324-A1 Methods of treating atherosclerosis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG GPR3 1095/4885ALDH1A1 3123/4885CYP1A2 3126/4885
US-20050119276-A1 Methods of treating inflammatory bowel disease using NF-kB inhibitors NFKBIA, IKBKB, IKBKG GPR3 613/4885ALDH1A1 2601/4885CYP1A2 1753/4885
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 GPR3 2395/4885ALDH1A1 1166/4885CYP1A2 2903/4885

“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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