Sugi Predict

Sugi Predict / Compounds / SCHEMBL875772

SCHEMBL875772

SCHEMBL875772

O=[N+]([O-])c1ccccc1Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 7/20 0.78
▸ SMN1; SMN2 Q16637 1/20 0.78
▸ SLC6A2 P23975 1/20 0.62
▸ SLC6A4 P31645 1/20 0.62
▸ SLC6A3 Q01959 1/20 0.62
▸ TXNRD1 Q16881 1/20 0.55
▸ TXNRD3 Q86VQ6 1/20 0.55
▸ TXNRD2 Q9NNW7 1/20 0.55
▸ PDE7B Q9NP56 2/20 0.53
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ PKM P14618 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KDM4A O75164 1/20 0.51
▸ TDP2 O95551 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4C Q9H3R0 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL31272173 1.00 PDE7A (0.78) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL8095611 0.88 PDE7A (1.00) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2417324 0.88 PDE7A (0.64) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL1342485 0.88 PDE7A (0.64) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL1713219 0.87 PDE7A (0.65) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL30338244 0.87 PDE7A (0.65) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL224666 0.86 PDE7A (0.60) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL22133428 0.85 ALDH1A1 (0.65) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL6930370 0.85 PDE7A (0.59) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2360372 0.84 PDE7A (0.59) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831502-A Ortho-nitrophenyl sulfonic acid chloride, its synthetic method and application 苏州市泽宸贸易有限公司 2017-06-13 — — CN claimed
US-20130245261-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-19 — — US claimed
CN-117899873-A Transition metal catalyst and preparation method and application thereof 厦门大学 2024-04-19 — — CN disclosed
CN-107151233-B Hydrazone-containing pyrimidine derivative and application thereof 沈阳药科大学 2020-06-09 — — CN disclosed
CN-110105251-A A kind of industrialized preparing process of ortho-nitrophenyl sulfonic acid chloride 苏州市泽宸贸易有限公司 2019-08-09 — — CN disclosed
CN-110105251-A A kind of industrialized preparing process of ortho-nitrophenyl sulfonic acid chloride 苏州市泽宸贸易有限公司 2019-08-09 — — CN disclosed
CN-106831502-A Ortho-nitrophenyl sulfonic acid chloride, its synthetic method and application 苏州市泽宸贸易有限公司 2017-06-13 — — CN disclosed
CN-106831502-A Ortho-nitrophenyl sulfonic acid chloride, its synthetic method and application 苏州市泽宸贸易有限公司 2017-06-13 — — CN disclosed
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 — — US disclosed
CN-103848767-A Synthetic method of aryl thioether compound UNIV EAST CHINA NORMAL 2014-06-11 — — CN disclosed
US-8586020-B2 Poly(organophosphazene) composition for biomaterials KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-11-19 — — US disclosed
EP-0029460-A1 PROCESS FOR PREPARING AROMATIC URETHANE MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-06-03 — — EP disclosed
US-4262130-A Process for the production of urethanes BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 — — US disclosed
US-4219661-A FROM THE NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 — — US disclosed
US-4186269-A REACTING AROMATIC NITRO COMPOUND, AN ALCOHOL, AND CARBON MONOXIDE IN PRESENCE OF CATALYST MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1980-01-29 — — US disclosed
US-4178455-A FROM AROMATIC NITRO COMPOUND, ALCOHOL AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-12-11 — — US disclosed
US-4170708-A FROM AN AROMATIC NITRO COMPOUND, AN ALCOHOL, AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-10-09 — — US disclosed
EP-0000563-A1 Process for preparing aromatic urethanes MITSUI TOATSU CHEMICALS, Inc. (JP) 1979-02-07 — — EP disclosed
US-4134880-A Process for producing an aromatic urethane from nitro compounds, hydroxyl compounds and carbon monoxide using metal-Lewis acid-ammonia catalyst systems MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-01-16 — — US disclosed
US-4080365-A Process for preparing aromatic urethanes MITSUI TOATSU CHEMICALS (JA) 1978-03-21 — — US 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-20130245261-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION CDK1, CDK9, CDK6 PDE7A 1808/4885SMN1; SMN2 2265/4885SLC6A2 4865/4885

“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.