SCHEMBL25002902

SCHEMBL25002902

CC(C)(C)NC(=S)N(CCCO)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
RECQL P46063 1/20 0.49
GAA P10253 5/20 0.48
LMNA P02545 3/20 0.48
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
REN P00797 1/20 0.43
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL5320120 0.86 RECQL (0.62) ALDH1A1RECQLGAALMNANPSR1
SCHEMBL4207867 0.73 HDAC1 (0.57) ALDH1A1GAALMNAHDAC1HDAC6
SCHEMBL1848202 0.71 HDAC1 (0.52) RECQLLMNAHDAC1HDAC6REN
SCHEMBL14224515 0.70 HDAC1 (0.58) ALDH1A1GAALMNAHDAC1HDAC6
SCHEMBL5455537 0.70 ALDH1A1 (0.69) ALDH1A1GAALMNAKMT2AKDM4E
SCHEMBL3900020 0.69 HDAC1 (0.53) ALDH1A1GAALMNAHDAC1HDAC6
SCHEMBL14197217 0.69 HDAC1 (0.50) LMNAHDAC1HDAC6RENKMT2A
SCHEMBL18096180 0.69 RECQL (0.43) RECQLLMNAHDAC1HDAC6KMT2A
SCHEMBL671194 0.68 REN (0.55) ALDH1A1GAALMNAHDAC1HDAC6
SCHEMBL21242365 0.68 HDAC1 (0.59) ALDH1A1GAAHDAC1HDAC6REN

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-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION THE ROCKEFELLER UNIVERSITY (US) 2024-10-17 US disclosed
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 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-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION LATS1, LATS2, YAP1 ALDH1A1 3828/4885RECQL 1306/4885GAA 4064/4885

“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.