SCHEMBL10049900

SCHEMBL10049900

Cc1nc2ccc(N(C)CCN(C)C)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
MCHR1 Q99705 11/20 0.40
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL10233567 0.83 HRH3 (0.50) HRH3MCHR1SMN1; SMN2HSD17B10NPC1
SCHEMBL10233558 0.80 MAPT (0.39) HRH3MCHR1MAPT
SCHEMBL14006989 0.80 NCF1 (0.41) SMN1; SMN2HSD17B10NPC1ALDH1A1TP53
SCHEMBL972022 0.74 HRH3 (0.43) HRH3MCHR1
SCHEMBL2669043 0.73 HTR7 (0.47) HRH3HTR7
SCHEMBL5911169 0.68 NCF1 (0.63) HRH3MCHR1HTR2A
SCHEMBL805088 0.68 SMN1; SMN2 (0.42) SMN1; SMN2HSD17B10NPC1ALDH1A1TP53
Hydrochloric Acid SCHEMBL29733282 0.66 SMN1; SMN2 (0.41) SMN1; SMN2HSD17B10NPC1ALDH1A1TP53
SCHEMBL13668639 0.66 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10NPC1ALDH1A1TP53
SCHEMBL3160366 0.65 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10NPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173649-B2 Glucokinase activator KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-05-08 US disclosed
US-20100016304-A1 GLUCOKINASE ACTIVATOR TEIJIN LIMITED (JP) 2010-01-21 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-20100016304-A1 GLUCOKINASE ACTIVATOR GCK, GCKR, GALK1 HRH3 4019/4885MCHR1 3652/4885SMN1; SMN2 3395/4885

“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.