SCHEMBL19520405

SCHEMBL19520405

CCc1nnc(SCC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)n1CCCO

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ HPGD P15428 2/20 0.54
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPT P10636 3/20 0.50
▸ USP2 O75604 2/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ THRB P10828 1/20 0.48

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
SCHEMBL19520375 0.92 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL19520353 0.90 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL19520585 0.90 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL19538744 0.87 LMNA (0.67) ALDH1A1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL17725602 0.86 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL19520411 0.82 TSHR (0.66) ALDH1A1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL19549073 0.82 MAPT (0.71) ALDH1A1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL24021621 0.81 TSHR (0.56) ALDH1A1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL19520407 0.81 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL19538809 0.81 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TSHRHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3448853-B1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2021-11-17 — — EP claimed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US claimed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US claimed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — WO claimed
EP-3448853-B1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2021-11-17 — — EP disclosed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US disclosed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US disclosed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — 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 (2 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-10730865-B2 Compounds for modulating aquaporins AQP1, AQP4, AQP3 ALDH1A1 1917/4885SMN1; SMN2 4791/4885TSHR 3510/4885
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS AQP1, AQP4, AQP3 ALDH1A1 1917/4885SMN1; SMN2 4791/4885TSHR 3510/4885

“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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