SCHEMBL718652

SCHEMBL718652

CCCCCCC(Nc1ccc(C(=O)O)cc1)c1cc2cc(Cl)ccc2n1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 8/20 0.48
PHGDH O43175 4/20 0.47
RXFP1 Q9HBX9 1/20 0.42
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38

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
SCHEMBL721063 0.91 MAPT (0.40) OXER1PHGDHRXFP1PSEN1PSEN2
SCHEMBL27834206 0.86 OXER1 (0.47) OXER1PHGDHMEN1KMT2APTGER4
SCHEMBL27852299 0.86 ITGB3 (0.47)
SCHEMBL719164 0.80 GCGR (0.55) OXER1
SCHEMBL3402377 0.78 PHGDH (0.46) OXER1PHGDHRXFP1MEN1KMT2A
SCHEMBL716934 0.75 GCGR (0.45) PHGDH
SCHEMBL716441 0.73 GCGR (0.53)
SCHEMBL11257714 0.72 TDP1 (0.47) MEN1KMT2A
SCHEMBL11261793 0.71 TDP1 (0.48)
SCHEMBL11558611 0.69 TP53 (0.49) MEN1KMT2A

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 5 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
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN 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 OXER1 2109/4885PHGDH 2726/4885RXFP1 3336/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP OXER1 2109/4885PHGDH 2726/4885RXFP1 3336/4885

“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.