SCHEMBL5035378

SCHEMBL5035378

c1ccc(CNc2ccc3nc(-c4ccccc4)oc3c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.60
NAMPT P43490 1/20 0.60
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
MAPT P10636 6/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
HSD17B10 Q99714 2/20 0.58
VSIR Q9H7M9 2/20 0.51
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL2244889 0.89 BCHE (0.60) BCHECASP3SENP8SENP7SENP6
SCHEMBL12784756 0.84 BCHE (0.81) BCHEMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8688433 0.83 CASP3 (0.62) BCHENAMPTCASP3SENP8SENP7
SCHEMBL2242817 0.81 CETP (0.62) BCHECASP3SENP8SENP7SENP6
SCHEMBL2247274 0.81 KDM4E (0.59) BCHECASP3SENP8SENP7SENP6
SCHEMBL26467345 0.80 CASP3 (0.64) BCHENAMPTCASP3SENP8SENP7
SCHEMBL26952136 0.80 CASP3 (0.68) NAMPTCASP3SENP8SENP7SENP6
SCHEMBL5034432 0.77 SMN1; SMN2 (0.51) BCHENAMPTCASP3SENP8SENP7
SCHEMBL26952117 0.76 CASP3 (0.64) NAMPTCASP3SENP8SENP7SENP6
SCHEMBL31319893 0.75 CASP3 (0.59) CASP3SENP8SENP7SENP6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124807-A1 Protein tagging reagents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-05-29 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-20080124807-A1 Protein tagging reagents TH, TPH1, TPH2 BCHE 1412/4885NAMPT 1228/4885CASP3 4351/4885

“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.