SCHEMBL901670

SCHEMBL901670

COc1ccc2c(Cl)c3c(Br)cccc3nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
NQO2 P16083 1/20 0.47
CDK9 P50750 2/20 0.46
DYRK1A Q13627 2/20 0.46
DYRK2 Q92630 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
DYRK3 O43781 1/20 0.46
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
CASP6 P55212 1/20 0.43
KDM1A O60341 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
SCHEMBL15397411 0.81 NQO2 (0.43) ALDH1A1KDM4ELMNANQO2MAPT
SCHEMBL901703 0.80 ENPP3 (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1POLB
SCHEMBL6023624 0.79 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2MEN1POLB
SCHEMBL902453 0.78 DHFR (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1POLB
SCHEMBL902184 0.78 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1POLB
SCHEMBL902174 0.77 MAOA (0.61) ALDH1A1KDM4ESMN1; SMN2MEN1POLB
SCHEMBL902558 0.76 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1POLB
SCHEMBL9594726 0.74 KDM4E (0.57) ALDH1A1KDM4ESMN1; SMN2MEN1POLB
SCHEMBL11194565 0.74 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2MEN1POLB
SCHEMBL9594325 0.73 MPO (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1POLB

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
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
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 ALDH1A1 41/4885KDM4E 2371/4885SMN1; SMN2 1387/4885

“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.