SCHEMBL3044124

SCHEMBL3044124

O=C1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2-c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.68
KCNA3 P22001 2/20 0.68
BCHE P06276 1/20 0.49
P2RX4 Q99571 1/20 0.49
NOTUM Q6P988 1/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
AVPR2 P30518 1/20 0.44
AVPR1A P37288 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MGAM O43451 1/20 0.41
AMY1A P0DUB6 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 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
SCHEMBL7330482 0.86 HPGD (0.54) KCNN4KCNA3BCHEP2RX4HPGD
SCHEMBL3037573 0.83 KCNN4 (0.78) KCNN4KCNA3P2RX4NOTUMHPGD
SCHEMBL7352575 0.82 ALDH1A1 (0.56) BCHEP2RX4HPGDL3MBTL1ALDH1A1
SCHEMBL3042508 0.81 KCNN4 (1.00) KCNN4KCNA3BCHENOTUMHPGD
SCHEMBL6990464 0.81 ALDH1A1 (0.52) BCHEP2RX4HPGDL3MBTL1ALDH1A1
SCHEMBL7345718 0.80 ALDH1A1 (0.49) BCHEP2RX4HPGDL3MBTL1AVPR2
SCHEMBL8562104 0.79 HPGD (0.58) HPGDL3MBTL1ALDH1A1MAPTGAA
SCHEMBL68111 0.77 KCNN4 (0.68) KCNN4KCNA3BCHEP2RX4NOTUM
SCHEMBL7349991 0.77 L3MBTL1 (0.46) KCNN4KCNA3BCHEP2RX4HPGD
SCHEMBL7348630 0.77 L3MBTL1 (0.46) BCHEP2RX4HPGDL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216772-A1 Novel Phenantridine Analogues and Uses Thereof 4SC AG (DE) 2010-08-26 US disclosed
EP-1740548-A1 NOVEL PHENANTRIDINE ANALOGUES AND THEIR USES AS INHIBITORS OF HYPERPROLIFERATION OF T CELLS AND/OR KERATINOCYTES 4SC AG (DE) 2007-01-10 EP disclosed
WO-2005105752-A1 NOVEL PHENANTRIDINE ANALOGUES AND THEIR USES AS INHIBITORS OF HYPERPROLIFERATION OF T CELLS AND/OR KERATINOCYTES 4SC AG (DE) 2005-11-10 WO 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-20100216772-A1 Novel Phenantridine Analogues and Uses Thereof P2RX4, P2RX5, CLIC4 KCNN4 50/4885KCNA3 52/4885BCHE 1969/4885

“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.