SCHEMBL4482120

SCHEMBL4482120

c1ccc2c(c1)SCC1CCCN21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
NOS1 P29475 2/20 0.49
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ABCB11 O95342 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL5238590 0.78 NOS1 (0.44) KMT2AGAAMEN1NOS1NPC1
SCHEMBL14463608 0.78 NOS1 (0.44) KMT2AGAAMEN1NOS1NPC1
SCHEMBL21745146 0.76 GAA (0.56) KMT2AGAAMEN1NOS1HTR2C
SCHEMBL21745144 0.76 GAA (0.56) KMT2AGAAMEN1NOS1HTR2C
SCHEMBL21762794 0.76 GAA (0.56) KMT2AGAAMEN1NOS1HTR2C
SCHEMBL6422828 0.76 HTR2C (0.54) HTR2CHTR2BHTR2A
SCHEMBL3087214 0.75 MEN1 (0.37) KMT2AGAAMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL6422741 0.74 HTR2C (0.52) HTR2CHTR2BHTR2A
SCHEMBL30600476 0.74 BCHE (0.41) KMT2AGAAMEN1KDM4EALDH1A1
SCHEMBL180964 0.74 BCHE (0.41) KMT2AGAAMEN1KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579343-B2 Pyrrolo-thiazines and processes for the preparation and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-08-25 US disclosed
EP-1934232-A2 PYRROLO-THIAZINES AND PROCESSES FOR THE PREPARATION AND USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2008-06-25 EP disclosed
WO-2007030487-A2 PYRROLO-THIAZINES AND PROCESSES FOR THE PREPARATION AND USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2007-03-15 WO disclosed
US-20070055062-A1 Pyrrolo-thiazines and processes for the preparation and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-03-08 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-20070055062-A1 Pyrrolo-thiazines and processes for the preparation and use thereof TALDO1, THPO, PPOX KMT2A 3214/4885GAA 59/4885MEN1 1529/4885

“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.