Sugi Predict

Sugi Predict / Compounds / SCHEMBL15524904

SCHEMBL15524904

SCHEMBL15524904

O=[N+]([O-])c1ccc2c(c1)CCN2Cc1ccc(C2(O)CCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ HDAC1 Q13547 6/20 0.40
▸ HDAC6 Q9UBN7 6/20 0.40
▸ HDAC8 Q9BY41 5/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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 0.83 DRD4 (0.53) DRD4ALOX5EPHX2DRD2MAPT
SCHEMBL15528358 0.81 HDAC1 (0.57) ALOX5EPHX2HDAC1HDAC6HDAC8
SCHEMBL15524910 0.81 HDAC1 (0.42) ALOX5EPHX2HDAC1HDAC6HDAC8
SCHEMBL5782563 0.80 ALOX5 (0.50) DRD4ALOX5EPHX2HDAC1HDAC6
SCHEMBL2769306 0.80 CASP1 (0.51) DRD4MAPTMAPK1RAB9ACYP2C19
SCHEMBL15524901 0.78 DRD4 (0.48) DRD4DRD2MAPTNPC1MAPK1
SCHEMBL15712659 0.78 CASP1 (0.49) DRD4SIGMAR1HDAC1HDAC6HDAC8
SCHEMBL15524921 0.77 DRD4 (0.47) DRD4ALOX5EPHX2DRD2HDAC1
SCHEMBL15524918 0.77 DRD4 (0.50) DRD4DRD2MAPTNPC1MAPK1
SCHEMBL21643755 0.77 HDAC1 (0.61) HDAC1HDAC6HDAC8HDAC3HDAC4

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 3554/4885SIGMAR1 1766/4885ALOX5 3468/4885

“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.