SCHEMBL15212407

SCHEMBL15212407

COc1ccc(-c2cc(C(O)c3ccccn3)c3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.56
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
LMNA P02545 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
ACACA Q13085 1/20 0.55
HTT P42858 1/20 0.55
MAPK1 P28482 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
TACR3 P29371 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL16307497 0.87 KDM4E (0.49) ACP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL7225702 0.81 MAPT (0.46) ACP1ALDH1A1LMNAMAPTNPC1
SCHEMBL7208784 0.74 MAPT (0.49) KDM4EMAPTTACR3
SCHEMBL10612092 0.73 MAPT (0.71) ACP1ALDH1A1HPGDLMNAKDM4E
SCHEMBL20414389 0.73 ALDH1A1 (0.53) ACP1ALDH1A1HPGDLMNAKDM4E
SCHEMBL25181505 0.73 ACACA (0.97) ACP1ALDH1A1HPGDLMNAKDM4E
SCHEMBL28967193 0.73 ALDH1A1 (0.59) ACP1ALDH1A1HPGDLMNAKDM4E
SCHEMBL15212319 0.73 RAB9A (0.63) ALDH1A1HPGDLMNAKDM4EMAPT
SCHEMBL4196670 0.72 ACACA (0.74) ACP1ALDH1A1HPGDLMNAKDM4E
SCHEMBL17688779 0.72 ACP1 (1.00) ACP1

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-20140371165-A1 Identification of NSC23925 Isomers to Reverse Multidrug Resistance in Human Cancers THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 US disclosed
US-20140371165-A1 Identification of NSC23925 Isomers to Reverse Multidrug Resistance in Human Cancers THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 US disclosed
WO-2013126664-A1 IDENTIFICATION OF NSC23925 ISOMERS TO REVERSE MULTIDRUG RESISTANCE IN HUMAN CANCERS THE GENERAL HOSPITAL CORPORATION (US) 2013-08-29 WO disclosed
WO-2013126664-A1 IDENTIFICATION OF NSC23925 ISOMERS TO REVERSE MULTIDRUG RESISTANCE IN HUMAN CANCERS THE GENERAL HOSPITAL CORPORATION (US) 2013-08-29 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-20140371165-A1 Identification of NSC23925 Isomers to Reverse Multidrug Resistance in Human Cancers ABCC1, MCL1, ABCB1 ACP1 4807/4885ALDH1A1 1353/4885HPGD 531/4885

“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.