SCHEMBL3045470

SCHEMBL3045470

O=C1CN(S(=O)(=O)c2ccc(Br)cc2)c2ccccc2-c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.75
KCNN4 O15554 3/20 0.75
MMP2 P08253 3/20 0.54
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL3038159 0.88 KCNA3 (0.78) KCNA3KCNN4MMP2CTSGCMA1
SCHEMBL3034555 0.86 KCNA3 (1.00) KCNA3KCNN4MMP2CTSGCMA1
SCHEMBL3041480 0.86 KCNA3 (1.00) KCNA3KCNN4MMP2CTSGCMA1
SCHEMBL3041693 0.82 KCNA3 (0.70) KCNA3KCNN4MMP2CTSGCMA1
SCHEMBL8667382 0.82 KCNA3 (0.68) KCNA3KCNN4MMP2CTSGCMA1
SCHEMBL28665779 0.79 KCNA3 (0.89) KCNA3KCNN4MMP2CTSGCMA1
SCHEMBL3037515 0.78 KCNA3 (0.67) KCNA3KCNN4ALDH1A1POLBMAPT
SCHEMBL3038345 0.77 KCNA3 (1.00) KCNA3KCNN4MMP2CTSGCMA1
SCHEMBL3039239 0.76 KCNA3 (0.61) KCNA3KCNN4PSEN1PSEN2APH1B
SCHEMBL30926480 0.73 ALDH1A1 (0.79) MMP2ALDH1A1POLBMAPTMEN1

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 KCNA3 52/4885KCNN4 50/4885MMP2 4463/4885

“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.