SCHEMBL16838758

SCHEMBL16838758

O=Cc1ccc(OCc2cn3ccsc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ LMNA P02545 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.47
▸ TSHR P16473 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ HPGD P15428 5/20 0.44
▸ POLB P06746 2/20 0.44
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42

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
SCHEMBL23657513 0.81 RAB9A (0.57) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL1429278 0.72 NPC1 (0.61) SMN1; SMN2ALDH1A1LMNATSHRGAA
SCHEMBL14653755 0.72 LTA4H (0.45) SMN1; SMN2TSHRGAACYP1A2CYP3A4
SCHEMBL14530530 0.69 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL6930245 0.69 POLB (0.48) SMN1; SMN2ALDH1A1KDM4ETSHRGAA
SCHEMBL2559956 0.68 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL30903803 0.67 MEN1 (0.57) SMN1; SMN2ALDH1A1LMNAKDM4EKMT2A
SCHEMBL9570044 0.67 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4ETSHRHTT
SCHEMBL8800604 0.66 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAKDM4EKMT2A
SCHEMBL12531819 0.66 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4ETSHRHTT

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-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 SMN1; SMN2 2832/4885ALDH1A1 2293/4885LMNA 4183/4885

“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.

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