Sugi Predict

Sugi Predict / Compounds / SCHEMBL3699674

SCHEMBL3699674

SCHEMBL3699674

O=[N+]([O-])c1c(Cl)ccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.62
▸ CYP3A4 P08684 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.50
▸ CYP2A6 P11509 3/20 0.50
▸ NCEH1 Q6PIU2 1/20 0.48
▸ HPRT1 P00492 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ S100A4 P26447 1/20 0.44
▸ HNF4A P41235 2/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ PAX8 Q06710 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ XBP1 P17861 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
SCHEMBL3776997 0.91 HPRT1 (0.56) TSHRCYP3A4ALDH1A1CYP2A6NCEH1
SCHEMBL3697120 0.91 HPRT1 (0.56) TSHRCYP3A4ALDH1A1CYP2A6NCEH1
SCHEMBL3707683 0.84 CYP3A4 (0.59) TSHRCYP3A4ALDH1A1CYP2A6HPRT1
SCHEMBL3704204 0.82 CYP3A4 (0.58) TSHRCYP3A4ALDH1A1CYP2A6HPRT1
SCHEMBL3782714 0.82 CYP3A4 (0.58) TSHRCYP3A4ALDH1A1CYP2A6HPRT1
SCHEMBL163000 0.79 CYP3A4 (0.69) TSHRCYP3A4ALDH1A1CYP2A6NCEH1
SCHEMBL9422167 0.79 ALDH1A1 (0.50) TSHRCYP3A4ALDH1A1S100A4MAPT
SCHEMBL187452 0.78 TSHR (0.65) TSHRCYP3A4ALDH1A1CYP2A6NCEH1
SCHEMBL26191619 0.78 ALDH1A1 (0.47) TSHRCYP3A4ALDH1A1CYP2A6NCEH1
SCHEMBL3071816 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1CYP2A6NCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 — — WO claimed
CN-115135384-B Benzimidazole compound or salt thereof, agricultural and horticultural insecticide/acaricide containing the same, and method for using the same 日本农药株式会社 2024-03-22 — — CN disclosed
CN-114585620-B Oxadiazole compounds or salts thereof, agrohorticultural fungicides containing the same, and methods of use thereof 日本农药株式会社 2024-02-23 — — CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 — — CN disclosed
CN-112119069-B Benzimidazole compound or salt thereof, agricultural and horticultural insecticide/acaricide containing the same, and method for using the same 日本农药株式会社 2023-10-03 — — CN disclosed
CN-115916752-A Aryltetrahydropyridine derivatives or salts thereof, and pesticides containing the same and methods of use thereof 日本农药株式会社 2023-04-04 — — CN disclosed
CN-115734965-A Aryltetrahydropyridazine derivatives or salts thereof, pesticides containing the same and methods of use thereof 日本农药株式会社 2023-03-03 — — CN disclosed
CN-115135384-A Benzimidazole compound or its salt, and agricultural and horticultural insecticide and acaricide containing the same and method of using the same 日本农药株式会社 2022-09-30 — — CN disclosed
CN-113142227-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 — — CN disclosed
CN-113142225-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 — — CN disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 — — EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 — — US disclosed
EP-1297835-A1 Benzo[b]pyrano[3,2-h]acridin-7-one derivatives, processes for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2003-04-02 — — EP disclosed
CN-1041935-C Benzo[f]quinoxalindione derivatives, their preparation and their use in drugs SCHERING AG (DE) 1999-02-03 — — CN disclosed
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 — — US disclosed
WO-1997034896-A1 NOVEL HETEROCYCLICALLY SUBSTITUTED IMIDAZOLOQUINOXALINONES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-09-25 — — WO disclosed
EP-0696289-B1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1997-03-12 — — EP disclosed
EP-0696289-A1 BENZO F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1996-02-14 — — EP disclosed
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 — — WO disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 — — 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 (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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 TSHR 1160/4885CYP3A4 219/4885ALDH1A1 35/4885

“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.