SCHEMBL5607689

SCHEMBL5607689

O=C(NCc1cc[c]cc1)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
NPC1 O15118 2/20 0.61
THRB P10828 1/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
GAA P10253 3/20 0.56
NAMPT P43490 2/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL19028142 0.86 TSHR (0.76) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL354041 0.86 TSHR (0.76) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL3204774 0.85 LMNA (0.67) TSHRGAANAMPTHPGDMEN1
Iodide SCHEMBL15903217 0.85 TSHR (0.74) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL1570182 0.85 TSHR (0.61) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL7082686 0.84 TSHR (0.73) TSHRNPC1THRBGAANAMPT
SCHEMBL3918322 0.84 TSHR (0.76) TSHRNPC1THRBHDAC1HDAC6
Hydrochloric Acid SCHEMBL11508166 0.84 TSHR (0.72) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL6167737 0.82 TSHR (0.74) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL28793879 0.82 TSHR (0.74) TSHRNPC1THRBHDAC1HDAC6

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 TSHR 100/4885NPC1 2647/4885THRB 312/4885

“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.