SCHEMBL2026067

SCHEMBL2026067

O=C(Nc1ccccc1)c1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
PTPN1 P18031 2/20 0.49
CNR1 P21554 1/20 0.49
SRPK1 Q96SB4 1/20 0.47
BACE1 P56817 1/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SCN9A Q15858 1/20 0.46
NPY5R Q15761 1/20 0.46
SCN2A Q99250 1/20 0.46
PRKDC P78527 1/20 0.46
ATR Q13535 1/20 0.46
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2028775 0.85 NPC1 (0.55) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL27992257 0.80 SCN2A (0.55) MAPTRAB9ASCN9ANPY5RSCN2A
SCHEMBL2330004 0.80 NPY5R (0.55) MAPTRAB9AKDM4ESCN9ANPY5R
SCHEMBL18415348 0.79 RAB9A (0.47) MAPTCNR1TP53ALDH1A1MEN1
SCHEMBL18236197 0.77 RAB9A (0.49) CNR1TP53ALDH1A1KMT2ANPC1
SCHEMBL11229277 0.77 SCN2A (0.52) MAPTTP53RAB9ASCN9ANPY5R
SCHEMBL23859764 0.77 NR1H4 (0.58) MEN1KMT2ATDP1
SCHEMBL30075086 0.77 NR1H4 (0.58) MEN1KMT2ATDP1
SCHEMBL18407355 0.76 LMNA (0.48) CNR1TP53ALDH1A1LMNANPC1
SCHEMBL15135617 0.76 NPY5R (0.50) MAPTALDH1A1NPC1RAB9ASCN9A

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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US claimed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 MAPT 4352/4885PTPN1 3966/4885CNR1 44/4885

“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.