SCHEMBL23959845

SCHEMBL23959845

S=C(Nc1cccc2cccnc12)C1CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
KDR P35968 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
P2RX7 Q99572 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL23959844 0.82 CYP1A2 (0.55) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL22264710 0.82 WNT3 (0.66) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL31321007 0.82 WNT3 (0.66) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL4512999 0.78 CYP1A2 (1.00) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL23959777 0.78 CYP1A2 (0.71) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL4512996 0.78 CYP1A2 (0.71) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL31406374 0.77 ALDH1A1 (0.61) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL28400031 0.77 ALDH1A1 (0.65) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL16456004 0.76 WNT3 (0.60) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL16456024 0.76 WNT3 (0.60) MEN1KMT2AALDH1A1TDP1MAPT

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-20210332038-A1 6H-IMIDAZO[4,5,1-ij]QUINOLONE, SYNTHESIS METHOD AND USE THEREOF HANGZHOU NORMAL UNIVERSITY 2021-10-28 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-20210332038-A1 6H-IMIDAZO[4,5,1-ij]QUINOLONE, SYNTHESIS METHOD AND USE THEREOF ABL1, KCNK4, KCNJ4 CYP1A2 239/4885CYP3A4 20/4885MEN1 3196/4885

“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.