SCHEMBL2989427

SCHEMBL2989427

NCc1cccc2c(Cl)ccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
NR4A2 P43354 1/20 0.47
PNMT P11086 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
LMNA P02545 4/20 0.43
MAPT P10636 4/20 0.43
HSP90AA1 P07900 3/20 0.43
METAP2 P50579 2/20 0.43
METAP1 P53582 2/20 0.43
BRD4 O60885 1/20 0.43
MMP14 P50281 3/20 0.42
DPP4 P27487 2/20 0.42
TP53 P04637 3/20 0.42
ALOX12 P18054 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL28067792 0.86 KDM4E (0.56) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL16111888 0.84 KDM4E (0.52) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL29491299 0.82 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL24338551 0.82 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL4511370 0.79 NR4A2 (0.61) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL27786991 0.78 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL24338781 0.78 KDM4E (0.48) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL29410781 0.77 NR4A2 (0.68) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL318769 0.77 NR4A2 (0.68) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL2515670 0.76 NR4A2 (0.61) KDM4EALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 KDM4E 2792/4885ALDH1A1 891/4885KMT2A 1758/4885

“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.