SCHEMBL20601550

SCHEMBL20601550

O=C(NC(CC1CCNCC1)C1CC1)c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
HDAC2 Q92769 1/20 0.39
RAB9A P51151 5/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
F2 P00734 1/20 0.38
MAPK1 P28482 3/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 4/20 0.36
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
CASP1 P29466 2/20 0.36
TP53 P04637 2/20 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
SCHEMBL20618505 1.00 SMN1; SMN2 (0.44) SMN1; SMN2HDAC2RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL20601475 0.99 SMN1; SMN2 (0.43) SMN1; SMN2HDAC2RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL20601266 0.99 SMN1; SMN2 (0.43) SMN1; SMN2HDAC2RAB9AKMT2AMEN1
SCHEMBL20615697 0.84 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AKMT2AMEN1HTT
SCHEMBL20600989 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKMT2AMEN1HTT
SCHEMBL20601032 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKMT2AMEN1HTT
SCHEMBL20600986 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKMT2AMEN1HTT
SCHEMBL20601331 0.83 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AKMT2AMEN1HTT
SCHEMBL20601330 0.83 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AKMT2AMEN1HTT
SCHEMBL28354846 0.83 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
EP-3645519-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
CN-110770222-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-07 CN disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 SMN1; SMN2 2957/4885HDAC2 80/4885RAB9A 3849/4885

“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.