SCHEMBL3303069

SCHEMBL3303069

COc1cccc(-c2cn3cccc(C(=O)O)c3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.64
ALDH1A3 P47895 5/20 0.61
HSD17B10 Q99714 2/20 0.54
TP53 P04637 4/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.50
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
TMIGD3 P0DMS9 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ALDH1A2 O94788 1/20 0.48
CREBBP Q92793 1/20 0.47
KMT2A Q03164 1/20 0.47
WDR5 P61964 1/20 0.47

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
SCHEMBL5071971 0.91 ALDH1A3 (0.59) DHODHALDH1A3HSD17B10TP53MAPT
SCHEMBL2315115 0.87 ALDH1A3 (0.55) DHODHALDH1A3HSD17B10TP53MAPT
SCHEMBL1420203 0.85 DHODH (0.60) DHODHALDH1A3HSD17B10TP53MAPT
SCHEMBL19660462 0.82 ALDH1A3 (0.67) ALDH1A3HSD17B10TP53MAPTGAA
SCHEMBL5251711 0.81 ALDH1A3 (0.60) ALDH1A3TP53MAPTGAAPOLB
SCHEMBL1481133 0.81 DHODH (0.94) DHODHALDH1A3HSD17B10TP53GAA
SCHEMBL5737921 0.81 ALDH1A3 (0.72) ALDH1A3HSD17B10TP53MAPTLMNA
SCHEMBL2315617 0.81 ALDH1A3 (0.65) ALDH1A3HSD17B10TP53MAPTLMNA
SCHEMBL2318180 0.81 ALDH1A3 (0.61) ALDH1A3HSD17B10TP53MAPTLMNA
SCHEMBL21237193 0.79 ALDH1A3 (0.63) ALDH1A3HSD17B10TP53MAPTLMNA

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-8404707-B2 Imidazo [1, 2-a] pyrrolo [3, 2-c] pyridine compounds useful as pestivirus inhibitors UNIVERSITE D'AUVERGNE CLERMONT 1 (FR) 2013-03-26 US disclosed
US-20100093781-A1 IMIDAZO [1, 2-A] PYRROLO [3, 2-C] PYRIDINE COMPOUNDS USEFUL AS PESTIVIRUS INHIBITORS UNIVERSITE D'AUVERGNE CLERMONT 1 (FR) 2010-04-15 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-20100093781-A1 IMIDAZO [1, 2-A] PYRROLO [3, 2-C] PYRIDINE COMPOUNDS USEFUL AS PESTIVIRUS INHIBITORS PPM1D, CDKN1A, PPM1A DHODH 497/4885ALDH1A3 3587/4885HSD17B10 4067/4885

“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.