SCHEMBL19520575

SCHEMBL19520575

CCn1c(SCC(=O)Nc2nnc(-c3ccc(OC(C)C)cc3)s2)nnc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ TSHR P16473 4/20 0.57
▸ PKM P14618 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ GLA P06280 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ USP2 O75604 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 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
SCHEMBL19520385 0.91 L3MBTL1 (0.62) SMN1; SMN2TSHRPKMTP53KMT2A
SCHEMBL19520410 0.89 TSHR (0.64) SMN1; SMN2TSHRKMT2AALDH1A1MAPT
SCHEMBL19520587 0.88 SMN1; SMN2 (0.54) SMN1; SMN2TSHRPKMTP53KMT2A
SCHEMBL19520409 0.88 SMN1; SMN2 (0.54) SMN1; SMN2TSHRPKMTP53KMT2A
SCHEMBL19520583 0.85 SMN1; SMN2 (0.57) SMN1; SMN2TSHRPKMTP53KMT2A
SCHEMBL19520577 0.85 TSHR (0.59) SMN1; SMN2TSHRKMT2AALDH1A1MAPT
SCHEMBL24021633 0.81 TSHR (0.58) SMN1; SMN2TSHRTP53KMT2AGLA
SCHEMBL19538749 0.81 TSHR (0.53) SMN1; SMN2TSHRKMT2AL3MBTL1ALDH1A1
SCHEMBL19520360 0.79 TSHR (0.68) SMN1; SMN2TSHRTP53KMT2AALDH1A1
SCHEMBL19549073 0.79 MAPT (0.71) SMN1; SMN2TSHRTP53KMT2AL3MBTL1

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
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
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 SMN1; SMN2 4791/4885TSHR 3510/4885PKM 2386/4885
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS AQP1, AQP4, AQP3 SMN1; SMN2 4791/4885TSHR 3510/4885PKM 2386/4885

“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