SCHEMBL4375249

SCHEMBL4375249

CCOC(=O)c1[nH]cc(C#N)c1-c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPT P10636 6/20 0.41
TARBP2 Q15633 1/20 0.41
DUSP3 P51452 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL4375217 0.88 ALDH1A1 (0.49) HTTMAPTKMT2AALDH1A1KDM4E
SCHEMBL4373435 0.83 ALDH1A1 (0.41) HTTMAPTKMT2AALDH1A1KDM4E
SCHEMBL4375542 0.80 IMPDH2 (0.47) GABRA1GABRA3KMT2AALDH1A1MEN1
SCHEMBL8289772 0.80 GRIA2 (0.46) HTTMAPTKMT2AALDH1A1KDM4E
SCHEMBL4372506 0.79 ALDH1A1 (0.38) HTTMAPTKMT2AALDH1A1KDM4E
SCHEMBL4374929 0.77 MAPT (0.39) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL24392515 0.77 ALDH1A1 (0.50) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL4376215 0.76 HTT (0.47) HTTMAPTTARBP2DUSP3TUBB4A
SCHEMBL11037745 0.76 PIM1 (0.44) HTTMAPTALDH1A1KDM4ELMNA
SCHEMBL5732187 0.75 HTT (0.49) HTTMAPTTARBP2KMT2AALDH1A1

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-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 HTT 2176/4885GABRA1 38/4885GABRB1 52/4885

“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.