SCHEMBL16769360

SCHEMBL16769360

CC1CNCCN1CCCC#N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.34
HRH3 Q9Y5N1 4/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31

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
Hydrochloric Acid SCHEMBL15416509 0.98 POLB (0.41) POLBSMN1; SMN2MAPTHRH3HRH2
SCHEMBL18912350 0.90 POLB (0.48) POLBSMN1; SMN2HRH3ALDH1A1PKM
SCHEMBL18893655 0.90 POLB (0.48) POLBSMN1; SMN2HRH3ALDH1A1PKM
SCHEMBL18912395 0.90 POLB (0.48) POLBSMN1; SMN2HRH3ALDH1A1PKM
SCHEMBL3106518 0.79 TAAR1 (0.38)
SCHEMBL26614772 0.79 POLB (0.34) POLBSMN1; SMN2
SCHEMBL26614900 0.79 POLB (0.34) POLBSMN1; SMN2
SCHEMBL3683539 0.77 QPCT (0.32)
SCHEMBL789463 0.77 QPCT (0.32)
SCHEMBL3095725 0.77 KEAP1 (0.31) SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US 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-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors PARP1, PARP11, PARP3 POLB 77/4885SMN1; SMN2 1432/4885MAPT 1178/4885

“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.