SCHEMBL4890988

SCHEMBL4890988

O=C1COc2ccc3ccccc3c2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
MMP12 P39900 1/20 0.41
LMNA P02545 1/20 0.40
PARP1 P09874 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL9327518 0.72 HSD17B10 (0.41) HSD17B10KDM4ECYP1A2GLACYP2C9
SCHEMBL30019143 0.70 CYP19A1 (0.53) HSD17B10KDM4ECYP1A2GLACYP2C9
SCHEMBL2905322 0.70 AHR (0.49) HSD17B10LMNACA12CA1CA2
SCHEMBL86321 0.70 CYP19A1 (0.53) HSD17B10KDM4ECYP1A2GLACYP2C9
SCHEMBL1137855 0.69 GRM5 (0.48) NR3C2MMP12PARP1
SCHEMBL279553 0.69 CYP11B1 (0.56) NR3C2CYP11B1CYP11B2KMT2AKDM4E
SCHEMBL16254014 0.69 HSD17B10 (0.46) HSD17B10SIRT1LMNACA12CA1
SCHEMBL4095480 0.69 MMP12 (0.44) NR3C2KMT2AMMP12PARP1HTR1A
SCHEMBL4897580 0.69 GAA (0.39) HSD17B10KDM4ECYP1A2GLACYP2C9
SCHEMBL3488166 0.69 NR3C2 (0.54) NR3C2KMT2AKDM4EMMP12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US disclosed
EP-0441539-B1 Thiazine (or oxazine) derivatives and preparation thereof TANABE SEIYAKU CO (JP) 1996-04-10 EP disclosed
US-5496815-A TREATMENT OF ISCHEMIC ENCEPHALOPATHIA TANABE SEIYAKU CO., LTD. (JP) 1996-03-05 US disclosed
US-5281592-A Calcium antagonist, antiischemic agents, brains, nervous system disorders TANABE SEIYAKU CO., LTD. (JP) 1994-01-25 US disclosed
US-5246929-A Prophylaxis or treatment of ischemic encephalopathia TANABE SEIYAKU CO., LTD. (JP) 1993-09-21 US disclosed
EP-0441539-A2 Thiazine (or oxazine) derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1991-08-14 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 (3 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 NR3C2 775/4885CYP11B1 309/4885CYP11B2 383/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 NR3C2 1019/4885CYP11B1 1242/4885CYP11B2 1920/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 NR3C2 701/4885CYP11B1 758/4885CYP11B2 818/4885

“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.