SCHEMBL6325599

SCHEMBL6325599

N=C(N)c1ccc(OCc2ccccc2)c(C(N)c2ncnc3cc(C(=O)N4CCCC4)c(Cl)cc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.37
NMT1 P30419 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
MGLL Q99685 1/20 0.36
F2 P00734 2/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PRSS3 P35030 1/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL6329304 0.92 HSD17B10 (0.39) HPGDNPC1MAPTRAB9ALMNA
SCHEMBL2995396 0.85 F10 (0.38) HPGDF10PRSS1TPSAB1TPSD1
SCHEMBL6324410 0.84 HSD17B10 (0.38) HPGDNPC1MAPTRAB9ALMNA
SCHEMBL6323130 0.82 NPC1 (0.38) HPGDNPC1MAPTRAB9ALMNA
SCHEMBL6324788 0.81 HPGD (0.41) HPGDNPC1MAPTRAB9ALMNA
SCHEMBL6323858 0.79 HSD17B10 (0.34) HPGDNPC1MAPTRAB9ALMNA
SCHEMBL6332084 0.79 SLC6A9 (0.43) NPC1RAB9AHSD17B10NMT1
SCHEMBL2991621 0.76 F10 (0.39) HPGDPOLBF10PRSS1TPSAB1
SCHEMBL6329307 0.73 HPGD (0.40) HPGDNPC1MAPTRAB9ALMNA
Hydrochloric Acid SCHEMBL6322311 0.72 EGFR (0.40) HPGDNPC1MAPTRAB9ALMNA

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 HPGD 1428/4885NPC1 1892/4885MAPT 996/4885

“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.