SCHEMBL25812917

SCHEMBL25812917

CCC(=O)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.48
HRH3 Q9Y5N1 2/20 0.46
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
RHEB Q15382 1/20 0.42
ALOX15 P16050 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
NTSR1 P30989 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
LMNA P02545 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
KDM4E B2RXH2 1/20 0.41
F7 P08709 1/20 0.41

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
SCHEMBL27417845 0.84 HRH4 (0.47) HRH4HRH3MAPTKMT2ARHEB
SCHEMBL25768258 0.82 HRH4 (0.57) HRH4HRH3ALOX15SMN1; SMN2LMNA
SCHEMBL523253 0.82 RHEB (0.54) HRH4HRH3MAPTKMT2ARHEB
SCHEMBL11229272 0.82 MAPT (0.47) HRH4HRH3MAPTKMT2ARHEB
SCHEMBL13375266 0.82 DAGLA (0.39) MAPTRHEBSMN1; SMN2LMNARAB9A
SCHEMBL3064168 0.81 KMT2A (0.46) HRH4HRH3MAPTKMT2ARHEB
SCHEMBL29414225 0.81 KMT2A (0.46) HRH4HRH3MAPTKMT2ARHEB
SCHEMBL5952886 0.81 EGLN1 (0.50) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL23835759 0.80 HRH4 (0.44) HRH4HRH3MAPTKMT2ARHEB
SCHEMBL7705452 0.80 NR4A2 (0.48) HRH4HRH3MAPTKMT2ARHEB

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HRH4 4259/4885HRH3 3510/4885MAPT 2314/4885

“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.