SCHEMBL3229100

SCHEMBL3229100

CCCn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc(OC)n2C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.55
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
ALOX12 P18054 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
ADORA3 P0DMS8 3/20 0.53
ADORA1 P30542 2/20 0.51
UBE2N P61088 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48

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
SCHEMBL3233315 0.90 PKM (0.57) HIF1AMAPTLMNAMEN1ALDH1A1
SCHEMBL3229695 0.87 HIF1A (0.54) HIF1AMAPTLMNAMEN1ALDH1A1
SCHEMBL3236361 0.85 HIF1A (0.52) HIF1AMAPTLMNAMEN1ALDH1A1
SCHEMBL3232599 0.84 MAPT (0.56) HIF1AMAPTLMNAMEN1ALDH1A1
SCHEMBL3227552 0.84 MAPT (0.52) HIF1AMAPTLMNAMEN1ALDH1A1
SCHEMBL3234534 0.83 MAPT (0.55) HIF1AMAPTLMNAMEN1ALDH1A1
SCHEMBL3238173 0.83 MAPT (0.55) MAPTLMNAMEN1ALDH1A1POLB
SCHEMBL3233385 0.82 MAPT (0.54) HIF1AMAPTLMNAMEN1ALDH1A1
SCHEMBL3237070 0.81 MAPT (0.56) HIF1AMAPTLMNAMEN1ALDH1A1
SCHEMBL3237280 0.81 MAPT (0.53) HIF1AMAPTLMNAMEN1ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO claimed
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 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-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 HIF1A 4133/4885MAPT 2910/4885LMNA 3908/4885

“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.