SCHEMBL23340187

SCHEMBL23340187

O=C(CCl)Nc1ccnc2cc(Cl)ccc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.64
▸ CCR1 P32246 1/20 0.61
▸ NR4A2 P43354 2/20 0.61
▸ FERMT2 Q96AC1 4/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MAPT P10636 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ BACE1 P56817 1/20 0.53
▸ PKM P14618 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL27450988 0.83 FERMT2 (0.63) CYP1A2CCR1NR4A2FERMT2ALDH1A1
SCHEMBL27953778 0.82 CYP1A2 (0.59) CYP1A2CCR1NR4A2FERMT2ALDH1A1
SCHEMBL23904645 0.82 NR4A2 (0.70) CYP1A2CCR1NR4A2FERMT2ALDH1A1
SCHEMBL23904647 0.82 NR4A2 (0.57) CYP1A2CCR1NR4A2FERMT2ALDH1A1
SCHEMBL23340249 0.82 NR4A2 (0.57) CYP1A2CCR1NR4A2FERMT2MAPT
SCHEMBL23904644 0.81 FERMT2 (0.62) CYP1A2CCR1NR4A2FERMT2ALDH1A1
SCHEMBL28270221 0.81 HTT (0.81) FERMT2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL23883137 0.79 NR4A2 (0.54) CYP1A2CCR1NR4A2FERMT2LMNA
SCHEMBL23340476 0.79 NR4A2 (0.54) CYP1A2CCR1NR4A2FERMT2LMNA
SCHEMBL7656126 0.79 MAPT (0.63) CYP1A2CCR1NR4A2ALDH1A1LMNA

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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-01-26 — — US disclosed
WO-2021087077-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-05-06 — — 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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF HDAC5, HDAC4, HDAC7 CYP1A2 3113/4885CCR1 4704/4885NR4A2 932/4885

“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.

Send feedback