SCHEMBL5607683

SCHEMBL5607683

O=C(NCc1[c]cccc1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
TSHR P16473 1/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
EPHX2 P34913 3/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NAMPT P43490 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 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
SCHEMBL5607767 0.84 GAA (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL354041 0.78 TSHR (0.76) THRBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL5607689 0.77 TSHR (0.70) THRBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL5607153 0.77 LMNA (0.59) THRBNPC1RAB9ASMN1; SMN2MEN1
Iodide SCHEMBL15903217 0.77 TSHR (0.74) THRBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL8538634 0.76 ABL1 (0.42) TSHRNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7082686 0.76 TSHR (0.73) THRBTSHRNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11508166 0.75 TSHR (0.72) THRBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL25328235 0.75 THRB (0.77) THRBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14415899 0.75 THRB (0.77) THRBTSHRNPC1RAB9ASMN1; 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP THRB 312/4885TSHR 100/4885NPC1 2647/4885

“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.