SCHEMBL124236

SCHEMBL124236

Cc1cccc(-c2nc3cc(CO)ccc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
NR1I3 Q14994 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
GFER P55789 1/20 0.48
MAP2K4 P45985 1/20 0.46
PIN1 Q13526 1/20 0.46
PARP1 P09874 1/20 0.45
PBRM1 Q86U86 1/20 0.45
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
AURKB Q96GD4 1/20 0.45
PTGES O14684 1/20 0.44

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
SCHEMBL2105253 0.84 NPC1 (0.57) NPBWR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL21087331 0.84 NPC1 (0.60) NPBWR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL15779786 0.83 CBFB (0.53) NPC1RAB9AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL11378451 0.83 NPC1 (0.56) NPBWR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL19970875 0.81 NPBWR1 (0.50) NPBWR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL6124304 0.79 NPC1 (0.61) NPBWR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL31289459 0.79 NPC1 (0.66) NPBWR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL4245678 0.78 ALDH1A1 (0.62) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL124239 0.78 F2 (0.52) NPBWR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL124238 0.78 CBFB (0.52) NPC1RAB9AKDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926290-B2 Inhibitors of INV(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-27 US disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 US disclosed
US-9221764-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-29 US disclosed
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-08-28 US disclosed
US-8748618-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-06-10 US disclosed
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-08 US 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 (3 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-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB NPBWR1 2823/4885NPC1 1794/4885RAB9A 4300/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB NPBWR1 2919/4885NPC1 1798/4885RAB9A 4308/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB NPBWR1 2919/4885NPC1 1798/4885RAB9A 4308/4885

“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.