SCHEMBL13630799

SCHEMBL13630799

O=Cc1sccc1NC1CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
IDO1 P14902 1/20 0.36
PDE7A Q13946 3/20 0.35
PDE4B Q07343 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HCAR3 P49019 2/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL13760647 0.71
SCHEMBL13852231 0.70 IDO1 (0.34) MAPTIDO1PDE7APDE4BALDH1A1
SCHEMBL2434458 0.69 SMN1; SMN2 (0.65) KDM4EGAAMAPTLMNASMN1; SMN2
SCHEMBL28272464 0.68 POLB (0.35) MAPTPDE4BALDH1A1HPGDRAB9A
SCHEMBL8167373 0.67 LMNA (0.36) MAPTLMNAALDH1A1HPGDRAB9A
SCHEMBL2126610 0.66 HSD17B10 (0.32) MAPTLMNAALDH1A1RAB9A
SCHEMBL7471720 0.66 PTK2 (0.42) KDM4EGAAMAPTLMNASMN1; SMN2
SCHEMBL18825990 0.66 CEL (0.35) KDM4EMAPTLMNAALDH1A1TDP1
SCHEMBL29952569 0.64 KDM4E (0.56) KDM4EGAAMAPTIDO1LMNA
SCHEMBL7468523 0.63

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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 KDM4E 1120/4885GAA 1128/4885MAPT 3802/4885

“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.