SCHEMBL1645965

SCHEMBL1645965

O=[N+]([O-])c1ccc(N2CCN(c3cc(OCCOCc4ccccc4)ccn3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
GRM5 P41594 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
KIT P10721 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
ENPP2 Q13822 2/20 0.42
METAP1 P53582 1/20 0.42
F10 P00742 1/20 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
SCHEMBL1646405 0.82 ENPP2 (0.49) MEN1KMT2AATMALDH1A1MAPT
Pyridine SCHEMBL1647639 0.82 POLB (0.37) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2231027 0.76 CYP19A1 (0.34) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4758638 0.76 DRD2 (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1018619 0.73 POLB (0.55) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL1127229 0.72 KMT2A (0.66) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL6198529 0.71 IDO1 (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1126486 0.71 SIRT6 (0.56) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL1646266 0.71 MAPT (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28679485 0.70 CA12 (0.59) MAPTPOLBENPP2

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
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 MEN1 221/4885KMT2A 3693/4885ATM 3539/4885

“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.