SCHEMBL1899299

SCHEMBL1899299

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2ncnc3sccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RAB9A P51151 2/20 0.62
PKM P14618 2/20 0.62
NPC1 O15118 1/20 0.62
GALR3 O60755 1/20 0.62
GAA P10253 1/20 0.62
HSD11B1 P28845 2/20 0.59
GBA1 P04062 4/20 0.57
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PKLR P30613 1/20 0.47
MEN1 O00255 1/20 0.47
HTR2C P28335 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL13431592 0.84 SMN1; SMN2 (0.67) HTTSMN1; SMN2RAB9APKMNPC1
SCHEMBL19001385 0.82 HTR2C (0.58) POLBHTTSMN1; SMN2NPC1KDM4E
SCHEMBL13431594 0.82 POLB (1.00) POLBHTTSMN1; SMN2PKMHSD11B1
SCHEMBL18997666 0.74 MEN1 (0.52) POLBHTTSMN1; SMN2RAB9APKM
SCHEMBL27370216 0.71 HTT (0.70) HTTSMN1; SMN2PKMGAAHSD11B1
SCHEMBL14625303 0.70 HTT (0.68) HTTSMN1; SMN2PKMGAAHSD11B1
SCHEMBL29944227 0.70 HTT (0.68) HTTSMN1; SMN2PKMGAAHSD11B1
SCHEMBL1874183 0.70 F13A1 (0.59) HTTSMN1; SMN2RAB9APKMNPC1
SCHEMBL788443 0.69 POLB (0.55) POLBHTTSMN1; SMN2PKMHSD11B1
SCHEMBL3018379 0.69 HTT (0.62) POLBHTTSMN1; SMN2HSD11B1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320904-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-18 EP disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 POLB 2075/4885HTT 383/4885SMN1; SMN2 4740/4885

“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.