SCHEMBL8299858

SCHEMBL8299858

N=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ CA12 O43570 1/20 0.51
▸ SOS1 Q07889 1/20 0.51
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ XDH P47989 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ ERN1 O75460 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46

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
SCHEMBL131220 0.83 MAPT (0.55) MAPTCA12SOS1MEN1KMT2A
SCHEMBL9978289 0.82 MAPT (0.69) MAPTCA12SOS1MEN1KMT2A
SCHEMBL14935499 0.82 MAPT (0.69) MAPTCA12SOS1MEN1KMT2A
SCHEMBL114440 0.82 MAPT (0.58) MAPTCA12SOS1MEN1KMT2A
SCHEMBL11049170 0.82 MAPT (0.69) MAPTCA12SOS1MEN1KMT2A
SCHEMBL9968005 0.80 ERN1 (0.71) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11296000 0.80 MAPT (0.67) MAPTCA12SOS1MEN1KMT2A
SCHEMBL11299049 0.80 MAPT (0.67) MAPTCA12SOS1MEN1KMT2A
2-Nitrobenzaldehyde SCHEMBL5654 0.80 ERN1 (0.66) MAPTCA12SOS1MEN1KMT2A
2-Nitrobenzaldehyde SCHEMBL29672618 0.80 ERN1 (0.66) MAPTCA12SOS1MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305039-A A kind of application of novel fluorescence enhancement type probe in detection hydrogen sulfide 孙治刚 2019-10-08 — — CN claimed
CN-1024192-C Process for preparing 1,4-dihydro-pyridine derivatives EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1994-04-13 — — CN claimed
EP-0214708-B1 GRISEOLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE SANKYO COMPANY LIMITED (JP) 1989-12-13 — — EP claimed
CN-1037505-A 1, the preparation method of 4-dihydro-pyridine derivate EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1989-11-29 — — CN claimed
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy BIOMARIN IGA LIMITED 2010-07-01 — — US disclosed
US-20100048660-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-02-25 — — US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 — — WO disclosed
CN-1024192-C Process for preparing 1,4-dihydro-pyridine derivatives EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1994-04-13 — — CN disclosed
US-5216157-A Useful for preparation of nifedipine a calcium antagonist used in treatment of hypertension EGIS GYOGYSZERGYAR (HU) 1993-06-01 — — US disclosed
US-5126457-A Reacting nitrophenyl imines or diimines with methyl acetoacetate and amino or ammonium compounds yields high purity Nifedipine EGIS GYOGYSZERGYAR (HU) 1992-06-30 — — US disclosed
US-5126457-A Reacting nitrophenyl imines or diimines with methyl acetoacetate and amino or ammonium compounds yields high purity Nifedipine EGIS GYOGYSZERGYAR (HU) 1992-06-30 — — US disclosed
CN-1037505-A 1, the preparation method of 4-dihydro-pyridine derivate EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1989-11-29 — — CN 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 (2 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-20100048660-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SMN1; SMN2, CPT1B, GYS1 MAPT 4772/4885CA12 1313/4885SOS1 4578/4885
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy CPT1B, PYGM, MTPN MAPT 2870/4885CA12 3547/4885SOS1 4630/4885

“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.

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