SCHEMBL6239759

SCHEMBL6239759

O=C1NCCc2c1[nH]c1ccc([N+](=O)[O-])cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
LMNA P02545 2/20 1.00
HTT P42858 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
NCOA1 Q15788 1/20 1.00
NCOA3 Q9Y6Q9 1/20 1.00
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.59
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
GFER P55789 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PRKD1 Q15139 1/20 0.53
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51

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
SCHEMBL7979446 0.84 MAPT (0.73) MAPTLMNAHTTTDP1NCOA1
SCHEMBL4162219 0.80 MAPT (0.69) MAPTLMNAHTTTDP1NCOA1
SCHEMBL7397667 0.78 GSK3B (0.69) MAPTLMNAHTTTDP1NCOA1
SCHEMBL6350624 0.77 KDM4E (0.69) MAPTLMNAHTTTDP1NCOA1
SCHEMBL29855719 0.77 MAPT (0.69) MAPTLMNAHTTTDP1NCOA1
SCHEMBL1655185 0.77 PRKD1 (0.84) MAPTLMNAHTTTDP1NCOA1
SCHEMBL6241086 0.77 KDM4E (1.00) MAPTLMNAHTTTDP1NCOA1
SCHEMBL6236970 0.77 KDM4E (0.69) MAPTLMNAHTTTDP1NCOA1
SCHEMBL6237719 0.77 KDM4E (0.69) MAPTLMNAHTTTDP1NCOA1
SCHEMBL5263677 0.77 MAPT (0.69) MAPTLMNAHTTTDP1NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 WO disclosed
WO-2004113336-A1 CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS CHROMA THERAPEUTICS LIMITED (GB) 2004-12-29 WO disclosed
US-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects PINTOR JESUS J (ES) 2004-10-07 US disclosed
US-6730707-B2 SUCH AS 5-(METHOXYCARBONYLAMINO)-N-ACETYLTRYPTAMINE; TREATING OCULAR HYPERTENSION, VARIOUS FORMS OF GLAUCOMA INSPIRE PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-03-28 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 (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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 MAPT 1892/4885LMNA 3942/4885HTT 3086/4885
US-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects MTNR1A, MTNR1B, MC5R MAPT 1007/4885LMNA 1813/4885HTT 429/4885
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives MTNR1A, MTNR1B, MC5R MAPT 987/4885LMNA 2067/4885HTT 370/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 MAPT 2076/4885LMNA 2064/4885HTT 3748/4885

“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.