SCHEMBL658384

SCHEMBL658384

O=C(CCc1ccc2ccccc2c1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
PDPK1 O15530 1/20 0.52
GPR84 Q9NQS5 2/20 0.51
HTR1A P08908 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MCHR1 Q99705 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HSD11B1 P28845 1/20 0.46
DRD4 P21917 1/20 0.45

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
SCHEMBL30275054 0.87 PDPK1 (0.66) CYP1A2PDPK1ALDH1A1NPC1RAB9A
SCHEMBL659321 0.87 SMN1; SMN2 (0.63) CYP1A2PDPK1ALDH1A1NPC1RAB9A
SCHEMBL30275055 0.87 PDPK1 (0.66) CYP1A2PDPK1ALDH1A1NPC1RAB9A
SCHEMBL657581 0.87 PDPK1 (0.66) CYP1A2PDPK1ALDH1A1NPC1RAB9A
SCHEMBL28658857 0.84 NPC1 (0.70) CYP1A2PDPK1ALDH1A1NPC1RAB9A
SCHEMBL11123550 0.82 GPR84 (0.59) CYP1A2PDPK1GPR84MEN1KMT2A
SCHEMBL13386260 0.81 SMN1; SMN2 (0.55) CYP1A2PDPK1MEN1KMT2AALDH1A1
SCHEMBL3078714 0.80 L3MBTL1 (0.68) PDPK1GPR84MEN1KMT2AALDH1A1
SCHEMBL659686 0.80 PDPK1 (0.64) PDPK1GPR84MEN1KMT2ANPC1
SCHEMBL23351593 0.79 CYP1A2 (0.53) CYP1A2PDPK1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB CYP1A2 4611/4885PDPK1 109/4885GPR84 3246/4885

“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.