SCHEMBL443469

SCHEMBL443469

CC(c1nc(-c2ccccn2)no1)C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.72
TSHR P16473 4/20 0.58
RAB9A P51151 14/20 0.57
NPC1 O15118 13/20 0.57
SMN1; SMN2 Q16637 12/20 0.57
PKM P14618 10/20 0.53
TP53 P04637 8/20 0.53
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MITF O75030 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 4/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KLF5 Q13887 2/20 0.50
HPGD P15428 1/20 0.50
GRM5 P41594 2/20 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
SCHEMBL12410853 0.84 HTT (1.00) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL13819896 0.82 HTT (0.46) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL21900753 0.80 SMN1; SMN2 (0.54) TSHRRAB9ANPC1SMN1; SMN2TP53
SCHEMBL10237028 0.79 HTT (0.72) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL16543467 0.76 RAB9A (0.61) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL13820045 0.75 HTT (0.47) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL17225312 0.74 HTT (0.45) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL17225287 0.74 HTT (0.45) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL17225292 0.74 HTT (0.45) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL31478766 0.74 HTT (0.65) HTTTSHRRAB9ANPC1SMN1; SMN2

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-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 HTT 3196/4885TSHR 1614/4885RAB9A 3699/4885

“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.