SCHEMBL15524901

SCHEMBL15524901

O=Cc1ccc(CN2CCc3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.48
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
ALDH1A3 P47895 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 1/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KCNJ1 P48048 1/20 0.39
HTT P42858 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL15524915 0.85 DRD4 (0.53) DRD4ALDH1A1MAPTKDM4EDRD2
SCHEMBL5782563 0.85 ALOX5 (0.50) DRD4ALDH1A1KCNJ1
SCHEMBL2769306 0.85 CASP1 (0.51) DRD4ALDH1A1MAPTMAPK1RAB9A
SCHEMBL17140220 0.83 DRD4 (0.48) DRD4ALDH1A1MAPTDRD2MAPK1
SCHEMBL15524911 0.83 DRD4 (0.48) DRD4ALDH1A1MAPTDRD2MAPK1
SCHEMBL15524918 0.82 DRD4 (0.50) DRD4ALDH1A1MAPTKDM4EDRD2
SCHEMBL15524921 0.82 DRD4 (0.47) DRD4ALDH1A1MAPTKDM4EDRD2
SCHEMBL3851795 0.81 HDAC6 (0.53) DRD4ALDH1A1MAPTALDH1A3GAA
SCHEMBL1867023 0.79 MAPT (0.45) DRD4ALDH1A1MAPTMAPK1NPC1
SCHEMBL21643755 0.79 HDAC1 (0.61)

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-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
EP-2844247-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 EP disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 WO disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 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-20150284366-A1 ROR MODULATORS AND THEIR USES RORA, RORB, RORC DRD4 3554/4885ALDH1A1 1153/4885MAPT 2512/4885

“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.