SCHEMBL18702600

SCHEMBL18702600

O=c1[nH]c(-c2cc(Br)ccn2)nc2ccsc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 7/20 1.00
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ PDE5A O76074 1/20 0.45
▸ KRAS P01116 2/20 0.44
▸ PDPK1 O15530 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL18702370 0.81 SPR (1.00) SPRSMN1; SMN2RAB9AMAPTPDE5A
SCHEMBL26158246 0.80 SPR (0.67) SPRSMN1; SMN2RAB9AMAPTPDE5A
SCHEMBL26890923 0.80 SPR (0.66) SPRSMN1; SMN2RAB9AMAPTPDE5A
SCHEMBL13789308 0.76 SMN1; SMN2 (0.74) SPRSMN1; SMN2RAB9AMAPTPDE5A
SCHEMBL13789401 0.72 SMN1; SMN2 (0.59) SPRSMN1; SMN2RAB9AMAPTPDE5A
SCHEMBL13789393 0.71 SPR (0.55) SPRSMN1; SMN2RAB9AMAPTPDE5A
SCHEMBL2408228 0.70 SMN1; SMN2 (0.60) SPRSMN1; SMN2RAB9AMAPTPDE5A
SCHEMBL18689604 0.70 SPR (1.00) SPR
SCHEMBL20665473 0.70 SPR (0.69) SPRSMN1; SMN2RAB9AMAPT
SCHEMBL13789304 0.70 SMN1; SMN2 (0.56) SPRSMN1; SMN2RAB9AMAPTPDE5A

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-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR SPR 1/4885SMN1; SMN2 2655/4885RAB9A 4069/4885

“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.

Send feedback