SCHEMBL13428358

SCHEMBL13428358

CCOC(=O)Cc1cncc(-c2ccc(CN)cc2CN(Cc2ccccc2)C(=O)C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.39
F11 P03951 4/20 0.39
KLKB1 P03952 4/20 0.39
CYP3A4 P08684 1/20 0.37
PTGDR Q13258 1/20 0.37
PIN1 Q13526 1/20 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
SCHEMBL16501871 0.91 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ALPAR1
SCHEMBL3366312 0.89 TSHR (0.43) ALDH1A1TSHRMEN1KMT2ALPAR1
SCHEMBL13428384 0.87 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ALPAR1
SCHEMBL3366311 0.87 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2ALPAR1
SCHEMBL1923852 0.87 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ALPAR1
SCHEMBL1922354 0.87 PTGDR2 (0.49) PTGDR2
SCHEMBL1922333 0.86 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ALPAR1
SCHEMBL1922341 0.85 KCNH2 (0.43) ALDH1A1TSHRMEN1KMT2ALPAR1
SCHEMBL1922764 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ALPAR1
SCHEMBL13427894 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALPAR1LPAR5

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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2005/4885TSHR 613/4885MEN1 4828/4885

“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.