Sugi Predict

Sugi Predict / Compounds / SCHEMBL1982991

SCHEMBL1982991

SCHEMBL1982991

Cc1ccc2ncccc2c1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ TSHR P16473 3/20 0.56
▸ POLB P06746 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NCOA1 Q15788 1/20 0.54
▸ NCOA3 Q9Y6Q9 1/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.43
▸ NPY1R P25929 1/20 0.42
▸ PHGDH O43175 1/20 0.42
▸ CYP3A4 P08684 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
SCHEMBL1337810 0.81 MEN1 (0.65) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL17935046 0.81 CYP1A2 (0.54) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL10309413 0.80 MAPT (0.56) TSHRPOLBMEN1KMT2ANCOA1
SCHEMBL31233910 0.80 POLB (0.54) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL2004290 0.80 POLB (0.54) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL3037149 0.80 POLB (0.54) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL4079065 0.80 POLB (0.54) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL8381644 0.80 POLB (0.54) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL12101490 0.80 POLB (0.54) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL10309412 0.80 POLB (0.50) ALDH1A1TSHRPOLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107855112-A Modified montmorillonite used adsorbent for removing caesium and preparation method thereof 北京源清益壤环保科技有限公司 2018-03-30 — — CN claimed
CN-111888292-A Antibacterial and antiallergic shampoo based on spina gleditsiae and preparation method thereof 成都天河农业旅游发展有限公司 2020-11-06 — — CN disclosed
CN-107855112-A Modified montmorillonite used adsorbent for removing caesium and preparation method thereof 北京源清益壤环保科技有限公司 2018-03-30 — — CN disclosed
WO-2016115463-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-07-21 — — WO disclosed
US-9388165-B2 Isoquinoline-5-carboxamide derivative having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2016-07-12 — — US disclosed
US-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2015-07-09 — — US disclosed
EP-2876107-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2015-05-27 — — EP disclosed
EP-2512245-B1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-07-23 — — EP disclosed
US-8664387-B2 Pyridoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-03-04 — — US disclosed
EP-2512245-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-24 — — EP disclosed
EP-0929546-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 — — EP disclosed
WO-1998012180-A1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 — — WO disclosed
WO-1998012192-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 — — WO disclosed
EP-0240859-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-04-28 — — EP disclosed
US-4761403-A QUINOLONE DERIVATIVES ABBOTT LABORATORIES (US) 1988-08-02 — — US disclosed
US-4761475-A 2,4-diaminopyrimidines substituted with heterobicyclomethyl radicals at the 5 position useful as antibacterials SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 1988-08-02 — — US disclosed
EP-0240859-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1987-10-14 — — EP disclosed
US-4587342-A 2,4-diamino-(substituted-benzopyran(quinolyl,isoquinoly)methyl)pyrimidines useful as antibacterials SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 1986-05-06 — — US disclosed
EP-0051879-B1 SUBSTITUTED PYRIMIDINES, THEIR SYNTHESIS AND COMPOSITIONS CONTAINING THEM, THEIR USE IN MEDICINE AND INTERMEDIATES FOR MAKING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 — — EP disclosed
EP-0051879-A2 Substituted pyrimidines, their synthesis and compositions containing them, their use in medicine and intermediates for making them THE WELLCOME FOUNDATION LIMITED (GB) 1982-05-19 — — EP 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-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CSNK1A1, MAP3K5, MAP4K2 ALDH1A1 2851/4885TSHR 3558/4885POLB 2837/4885

“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.