SCHEMBL722516

SCHEMBL722516

COCCOCc1c(C=O)oc2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NQO1 P15559 1/20 0.36
GABRP O00591 5/20 0.35
GABRD O14764 5/20 0.35
GABRA1 P14867 5/20 0.35
GABRB1 P18505 5/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA5 P31644 5/20 0.35
GABRA3 P34903 5/20 0.35
GABRA2 P47869 5/20 0.35
GABRB2 P47870 5/20 0.35
GABRA4 P48169 5/20 0.35
GABRE P78334 5/20 0.35
GABRA6 Q16445 5/20 0.35

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
SCHEMBL717463 0.88 KMT2A (0.44) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL718549 0.79 NQO1 (0.37) KMT2ALMNANPC1RAB9ARXFP1
SCHEMBL27992814 0.78 KMT2A (0.46) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL30136586 0.78 KMT2A (0.46) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL722465 0.78 RAB9A (0.46) KMT2AMEN1NPC1RAB9ARXFP1
SCHEMBL716873 0.72 NPC1 (0.47) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL3397954 0.71 MEN1 (0.30) KMT2AMEN1ALDH1A1
SCHEMBL24757778 0.70 MEN1 (0.49) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL718576 0.65 RAB9A (0.53) KMT2AMEN1NPC1RAB9ARXFP1
SCHEMBL27263524 0.64 PPARG (0.41) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885MEN1 444/4885LMNA 3028/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885MEN1 444/4885LMNA 3028/4885

“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.