SCHEMBL4309489

SCHEMBL4309489

COc1cc([N+](=O)[O-])ccc1Oc1cc(Cl)ncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.49
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TTR P02766 2/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 4/20 0.44
CYP19A1 P11511 1/20 0.44
PTGS2 P35354 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PABPC1 P11940 1/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL5530603 0.93 HTT (0.49) HTTTDP1SMN1; SMN2MAPTHPGD
SCHEMBL20605406 0.85 ALDH1A1 (0.45) HTTTDP1SMN1; SMN2MAPTHPGD
SCHEMBL198095 0.83 HSPB1 (0.55) SMN1; SMN2MAPTPKMLMNAPOLB
SCHEMBL5317250 0.79 ACHE (0.50) TDP1SMN1; SMN2MAPTHPGDNPC1
SCHEMBL511711 0.79 HTT (0.49) HTTTDP1SMN1; SMN2MAPTHPGD
SCHEMBL4301977 0.78 MAPT (0.46) HTTSMN1; SMN2MAPTCYP2C19LMNA
SCHEMBL1891269 0.77 RAB9A (0.50) HTTMAPTNPC1RAB9ALMNA
SCHEMBL29441283 0.76 HTT (0.72) HTTTDP1SMN1; SMN2MAPTHPGD
SCHEMBL527567 0.76 HTT (0.72) HTTTDP1SMN1; SMN2MAPTHPGD
SCHEMBL2527999 0.75 HTT (0.54) HTTTDP1SMN1; SMN2MAPTHPGD

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-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS CORIUM INTERNATIONAL, INC. (US) 2009-05-21 US disclosed
EP-1838700-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS Novartis AG (CH) 2007-10-03 EP disclosed
WO-2006072589-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-07-13 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-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS UCK2, ULK2, MAP3K1 HTT 2068/4885TDP1 1672/4885SMN1; SMN2 3156/4885

“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.