SCHEMBL4752589

SCHEMBL4752589

[C-]#[N+]c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.57
TSHR P16473 1/20 0.57
NR1H2 P55055 1/20 0.50
BAX Q07812 1/20 0.50
MAOA P21397 1/20 0.50
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 1/20 0.47
GSTP1 P09211 1/20 0.42
SOS1 Q07889 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PLA2G2A P14555 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP3 Q96P20 1/20 0.41
SRD5A2 P31213 1/20 0.41
MAOB P27338 1/20 0.40
TLR4 O00206 1/20 0.40

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
SCHEMBL11604292 0.90 ALDH1A1 (0.41) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL12908053 0.81 GAA (0.46) MAOACA1CA2CA9MEN1
SCHEMBL3589804 0.80 LTA4H (0.50) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL12908103 0.79 TEAD4 (0.52) TSHRCA1CA2CA9MEN1
SCHEMBL7862234 0.79 MAPT (0.52) LTA4HTSHRMAOACA1CA2
SCHEMBL22129853 0.79 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL11576945 0.79 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL122719 0.79 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL3893562 0.79 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL435149 0.79 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 US disclosed
WO-2008141239-A1 IMIDAZOL [1,2-A] PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 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-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 LTA4H 2817/4885TSHR 1560/4885NR1H2 3820/4885

“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.