SCHEMBL4898451

SCHEMBL4898451

COc1cccc(N/C(=N/C#N)SC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.50
TSHR P16473 2/20 0.50
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
IDO1 P14902 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 5/20 0.46
NLRP3 Q96P20 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
STAT1 P42224 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4898452 1.00 TP53 (0.50) TP53TSHRKMT2AMAPTMEN1
SCHEMBL18856725 0.81 SMN1; SMN2 (0.50) KMT2AMAPTMEN1SIGMAR1RXFP1
SCHEMBL16471293 0.80 IDO1 (0.46) TP53TSHRKMT2AMAPTMEN1
SCHEMBL13105581 0.80 IDO1 (0.46) TP53TSHRKMT2AMAPTMEN1
SCHEMBL6779224 0.80 RAB9A (0.53) TP53KMT2AMAPTMEN1ALDH1A1
SCHEMBL6779219 0.80 RAB9A (0.53) TP53KMT2AMAPTMEN1ALDH1A1
SCHEMBL4682234 0.80 TSHR (0.46) TSHRKMT2AMAPTMEN1IDO1
SCHEMBL4528027 0.80 MEN1 (0.46) TP53KMT2AMAPTMEN1IDO1
SCHEMBL10452571 0.80 NPC1 (0.50) TP53TSHRKMT2AMAPTMEN1
SCHEMBL4682343 0.80 SIGMAR1 (0.65) TP53TSHRKMT2AMAPTMEN1

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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 TP53 4858/4885TSHR 478/4885KMT2A 1789/4885

“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.