SCHEMBL25001981

SCHEMBL25001981

N=C1SCCCN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
INMT O95050 4/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MAPT P10636 2/20 0.34
MPO P05164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DDAH1 O94760 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL25001921 0.94 SIGMAR1 (0.48) SIGMAR1INMTMEN1NPC1RAB9A
SCHEMBL10386947 0.88 SIGMAR1 (0.54) SIGMAR1INMTMEN1NPC1RAB9A
Bromide SCHEMBL10800477 0.86 SIGMAR1 (0.52) SIGMAR1INMTMEN1NPC1RAB9A
SCHEMBL25002592 0.80 MEN1 (0.42) INMTMEN1NPC1RAB9AKMT2A
SCHEMBL25001910 0.75 GPR55 (0.40) INMTRAB9AALDH1A1POLBMAPT
SCHEMBL14199843 0.73 SIGMAR1 (0.82) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL4562493 0.72 LMNA (0.56) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL10800977 0.71 INMT (0.40) SIGMAR1INMTMEN1NPC1RAB9A
SCHEMBL7538698 0.69 SIGMAR1 (0.56) SIGMAR1INMTMEN1NPC1RAB9A
SCHEMBL25003075 0.69 INMT (0.39) SIGMAR1INMTMEN1NPC1RAB9A

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 3 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
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 SIGMAR1 4275/4885INMT 2342/4885MEN1 3580/4885

“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.