SCHEMBL7130638

SCHEMBL7130638

CC(C)(C)[Si](C)(C)OCc1cn(-c2cccc([N+](=O)[O-])c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.40
ABHD16A O95870 1/20 0.40
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38

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
SCHEMBL3752669 0.81 TLR2 (0.39) MAPTLMNARAB9AMEN1ALDH1A1
SCHEMBL7121442 0.80 MAPT (0.39) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8158450 0.79 TLR2 (0.34) MAPTLMNAALDH1A1KMT2A
SCHEMBL5924509 0.79 S1PR4 (0.31) MAPTLMNARAB9AALDH1A1
SCHEMBL8135570 0.77 TLR2 (0.39) MAPTLMNAALDH1A1KMT2A
SCHEMBL1879222 0.76 TSHR (0.50) MAPTLMNARAB9ACYP1A2CYP2D6
SCHEMBL6756946 0.74 FGFR1 (0.50) FGFR1KEAP1NFE2L2MAPTLMNA
SCHEMBL7652299 0.74 CPB2 (0.35)
SCHEMBL2173928 0.72 CPB2 (0.37) LMNARAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL3772778 0.72 FGFR1 (0.50) FGFR1KEAP1NFE2L2MAPTLMNA

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 FGFR1 1736/4885ABHD16A 4417/4885KEAP1 2758/4885

“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.