Sugi Predict

Sugi Predict / Compounds / SCHEMBL427418

SCHEMBL427418

SCHEMBL427418

CC(=O)Nc1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ KMT2A Q03164 8/20 0.63
▸ ALDH1A1 P00352 5/20 0.63
▸ HPGD P15428 3/20 0.62
▸ MEN1 O00255 5/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ ALOX12 P18054 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ LMNA P02545 3/20 0.59
▸ MAPT P10636 4/20 0.58
▸ POLB P06746 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ PKM P14618 1/20 0.57
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.56

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
SCHEMBL4320215 0.88 HTT (0.68) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL11332313 0.88 KMT2A (0.71) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL4320209 0.88 HTT (0.68) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL30168131 0.87 HTT (0.74) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL1285405 0.87 HTT (0.74) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL3118987 0.85 KMT2A (0.63) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL5527561 0.85 HTT (0.65) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL31436946 0.85 HTT (0.80) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL1095433 0.85 HTT (0.80) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL11137615 0.84 HTT (0.67) HTTSMN1; SMN2KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850100-B Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2024-07-02 — — CN claimed
CN-115850100-A Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2023-03-28 — — CN claimed
US-3988347-A NITROSATION OF A 2-METHYL-ACETANILIDE WITH SODIUM NITRITE TENNECO CHEMICALS, INC. (US) 1976-10-26 — — US claimed
CN-122010953-A Pyrazolo [1, 5-alpha ] pyrimidine compound, and synthetic method and application thereof 豫北医学院 2026-05-12 — — CN disclosed
CN-115850100-B Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2024-07-02 — — CN disclosed
CN-115850100-A Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2023-03-28 — — CN disclosed
CN-105228982-B 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders 拜耳制药股份公司 2018-03-27 — — CN disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 — — US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 — — US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 — — US disclosed
CN-107531645-A The inhibitor of gangrenosum acne apoptosis 催化剂治疗私人有限公司 2018-01-02 — — CN disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 — — US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 — — US disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 — — EP disclosed
US-20040214798-A1 Nitroaryl phosphoramide compositions and methods for targeting and inhibiting undesirable cell growth or proliferation HU, LONGQIN 2004-10-28 — — US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 — — US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 — — EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 — — EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 — — WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 — — 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 HTT 3602/4885SMN1; SMN2 3725/4885KMT2A 2346/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 HTT 4586/4885SMN1; SMN2 3761/4885KMT2A 3553/4885
US-20040214798-A1 Nitroaryl phosphoramide compositions and methods for targeting and inhibiting undesirable cell growth or proliferation MKI67, NME2, NTPCR HTT 4147/4885SMN1; SMN2 3095/4885KMT2A 1459/4885
US-20180057465-A1 Inhibitors of Necroptosis RIPK3, RIPK1, AIFM1 HTT 3640/4885SMN1; SMN2 1297/4885KMT2A 3461/4885

“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.