Sugi Predict

Sugi Predict / Compounds / SCHEMBL1704376

SCHEMBL1704376

SCHEMBL1704376

Cc1ccc(NC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.71
▸ KCNMA1 Q12791 2/20 0.63
▸ NPC1 O15118 6/20 0.62
▸ RAB9A P51151 5/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ GAA P10253 1/20 0.58
▸ CYP3A4 P08684 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ KAT2B Q92831 1/20 0.54

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
SCHEMBL11591034 0.90 ALDH1A1 (0.67) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL1532370 0.88 MAPT (0.66) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL10889343 0.87 ALDH1A1 (0.63) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL5523947 0.87 KCNMA1 (0.64) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL10977960 0.84 RAB9A (0.63) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL11798136 0.84 ALDH1A1 (0.60) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL7821494 0.84 ALDH1A1 (1.00) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL7821500 0.84 ALDH1A1 (1.00) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL22807394 0.83 ALDH1A1 (0.71) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL9364781 0.83 ALDH1A1 (0.59) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 — — EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 — — WO disclosed
CN-114751920-B Antitumor compounds 法马马有限公司 2024-06-07 — — CN disclosed
CN-114736219-B Antitumor compounds 法马马有限公司 2024-06-07 — — CN disclosed
CN-118139851-A Antitumor compounds 法马马有限公司 2024-06-04 — — CN disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 — — US disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 — — CN disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 — — US disclosed
CN-117865987-A Antitumor compounds 法马马有限公司 2024-04-12 — — CN disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 — — EP disclosed
US-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. 2010-10-07 — — US disclosed
CN-101855218-A Synthesizing of deuterated catechol and benzo [d] [1,3] dioxole and derivative thereof CONCERT PHARMACEUTICALS INC 2010-10-06 — — CN disclosed
EP-2231590-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2010-09-29 — — EP disclosed
EP-2200997-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZOÝD¨Ý1,3¨DIOXOLES AND DERIVATIVES THEREOF Concert Pharmaceuticals Inc. (US) 2010-06-30 — — EP disclosed
EP-2183229-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 — — EP disclosed
WO-2009080769-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 — — WO disclosed
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2009-06-04 — — US disclosed
WO-2009035652-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF CONCERT PHARMACEUTICALS, INC. (US) 2009-03-19 — — WO disclosed
WO-2009017671-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 — — 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-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL ALDH1A1 785/4885KCNMA1 3036/4885NPC1 2521/4885
US-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD11B2, HSD17B1 ALDH1A1 399/4885KCNMA1 4097/4885NPC1 986/4885
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof COMT, DRD2, DRD3 ALDH1A1 478/4885KCNMA1 2713/4885NPC1 3262/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 ALDH1A1 144/4885KCNMA1 2977/4885NPC1 237/4885

“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.