SCHEMBL12232280

SCHEMBL12232280

Cn1c(=O)[nH]c2ccc(NCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 7/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ HTR1A P08908 3/20 0.42
▸ HTR7 P34969 3/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.42

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
SCHEMBL12232285 0.89 ADAMTS5 (0.44) KMT2AMAPTTP53POLBSMN1; SMN2
SCHEMBL12232803 0.88 MMP2 (0.48) MAPTTP53POLBSMN1; SMN2ACHE
SCHEMBL12233004 0.88 ACHE (0.40) KMT2AMAPTTP53ACHEHTR1A
SCHEMBL12232281 0.87 MAOB (0.40) KMT2AMAPTLMNAMAOBHTR1A
SCHEMBL12232799 0.85 ADAMTS5 (0.47) MAOBMMP2MMP13ADAMTS5
SCHEMBL12233834 0.83 GRIN2D (0.48) MAPTSMN1; SMN2LMNAHTR1A
SCHEMBL12232288 0.82 HTR1A (0.43) KMT2AMAPTTP53POLBSMN1; SMN2
SCHEMBL12232808 0.80 MAPT (0.61) KMT2AMAPTTP53POLBUSP2
SCHEMBL12233862 0.80 ACHE (0.52) KMT2AMAPTPOLBSMN1; SMN2ACHE
SCHEMBL12508813 0.79 ACHE (0.52) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251212-A1 PIPERAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2011-10-13 — — 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-20110251212-A1 PIPERAZINE DERIVATIVES GRIN2C, NR2C2, GRIN3A KMT2A 972/4885MAPT 4089/4885TP53 4289/4885

“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.

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