SCHEMBL902201

SCHEMBL902201

Brc1ccccc1Sc1c2ccccc2nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 3/20 0.41
MAOA P21397 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL904265 0.78 KDM1A (0.50) KDM1AKDM4EALDH1A1HPGDGLA
SCHEMBL29543575 0.72 LMNA (0.57) ALDH1A1MAOATDP1MAOBGAA
SCHEMBL3282096 0.72 LMNA (0.57) ALDH1A1MAOATDP1MAOBGAA
SCHEMBL11545039 0.71 LMNA (0.44) ALDH1A1MAOAMAOBGAALMNA
SCHEMBL20222284 0.71 IFNAR1 (0.50) ALDH1A1SMN1; SMN2HSD17B10TDP1KMT2A
SCHEMBL547713 0.69 LMNA (0.46) KDM4EHPGDMAOASMN1; SMN2HSD17B10
SCHEMBL22567695 0.68 LMNA (0.42) ALDH1A1MAOAMAOBLMNAPDE7A
SCHEMBL2512737 0.68 KDM4E (0.56) KDM1AKDM4EALDH1A1HPGDGLA
SCHEMBL17423359 0.67 KDM4E (0.50) KDM1AKDM4EALDH1A1HPGDGLA
SCHEMBL27761255 0.67 KMT2A (0.53) KDM4EALDH1A1HPGDGLAMAOA

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
US-20130310411-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2013-11-21 US disclosed
US-20130310411-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2013-11-21 US disclosed
EP-2621929-A1 NOVEL ACRIDINE DERIVATIVES Pharminox Limited (GB) 2013-08-07 EP disclosed
WO-2012042265-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2012-04-05 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-20130310411-A1 NOVEL ACRIDINE DERIVATIVES TERT, NAT10, POT1 KDM1A 1148/4885KDM4E 2371/4885ALDH1A1 41/4885

“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.