SCHEMBL2298296

SCHEMBL2298296

C=Cc1ccc(-c2nnc(N(CCCC)C(=O)Cc3ccccc3)s2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.54
S1PR3 Q99500 2/20 0.51
LMNA P02545 1/20 0.49
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GLA P06280 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.42
UBE2N P61088 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL2295597 0.92 S1PR1 (0.55) S1PR1S1PR3LMNAALDH1A1RAB9A
SCHEMBL2301028 0.84 S1PR1 (0.66) S1PR1S1PR3LMNAALDH1A1RAB9A
SCHEMBL2302581 0.84 S1PR1 (0.71) S1PR1S1PR3LMNAALDH1A1RAB9A
SCHEMBL1488788 0.80 S1PR1 (0.65) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2297820 0.80 S1PR1 (0.53) S1PR1S1PR3LMNAALDH1A1RAB9A
SCHEMBL1966424 0.79 S1PR1 (0.80) S1PR1S1PR3LMNAALDH1A1RAB9A
SCHEMBL1488999 0.78 CPB1 (0.57) S1PR1S1PR3LMNAALDH1A1RAB9A
SCHEMBL27838324 0.77 S1PR1 (0.69) S1PR1S1PR3LMNAALDH1A1RAB9A
SCHEMBL1966770 0.77 KDM4E (0.61) S1PR1S1PR3LMNAALDH1A1KDM4E
SCHEMBL2297303 0.76 KDM4E (0.53) S1PR1ALDH1A1RAB9ANPSR1L3MBTL1

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-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 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 (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-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES S1PR2, S1PR3, S1PR1 S1PR1 3/4885S1PR3 2/4885LMNA 4016/4885

“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.