SCHEMBL914223

SCHEMBL914223

CC(=O)Oc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2c(=O)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.56
▸ C1R P00736 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MAPT P10636 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ EIF4A1 P60842 3/20 0.50
▸ RECQL P46063 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ ELANE P08246 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ F2 P00734 1/20 0.49
▸ CD74 P04233 1/20 0.48
▸ MIF P14174 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ KLK3 P07288 1/20 0.47

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
SCHEMBL914093 0.88 C1R (0.66) APEX1C1RMAPTMEN1KMT2A
SCHEMBL5921548 0.83 C1R (0.55) C1RKDM4EMAPTMEN1KMT2A
SCHEMBL5781524 0.83 C1R (0.55) C1RKDM4EMAPTMEN1KMT2A
SCHEMBL5921076 0.83 C1R (0.65) C1RKDM4EMAPTMEN1KMT2A
SCHEMBL17254720 0.83 CD74 (0.67) C1RKDM4EMAPTMEN1KMT2A
SCHEMBL5921767 0.82 C1R (0.63) APEX1C1RKDM4EHTTMAPT
SCHEMBL914778 0.82 APEX1 (0.63) APEX1C1RSMN1; SMN2MAPTMEN1
SCHEMBL5778141 0.81 C1R (0.73) C1RKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL5921134 0.81 C1R (0.68) C1RKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL914439 0.81 C1R (0.74) APEX1C1RSMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 — — US claimed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 — — US disclosed
CN-100518740-C Pharmaceutical use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2009-07-29 — — CN disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 — — US disclosed
CN-1802160-A Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2006-07-12 — — CN disclosed
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 — — EP disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 — — WO disclosed
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 — — 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 APEX1 1422/4885C1R 202/4885KDM4E 1362/4885

“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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