SCHEMBL4947124

SCHEMBL4947124

N=C(NO)c1ccc(-c2cccc(-c3cn4cc(C(=N)NO)ccc4n3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 3/20 0.49
ALDH1A3 P47895 8/20 0.47
ALDH1A1 P00352 6/20 0.47
ALDH1A2 O94788 1/20 0.47
NR4A2 P43354 5/20 0.47
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
KCNH2 Q12809 2/20 0.43
CYP2C9 P11712 1/20 0.43
SLC2A1 P11166 1/20 0.43
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4951858 0.90 ALDH1A1 (0.53) RAB9ANPC1ALDH1A3ALDH1A1ALDH1A2
Hydrochloric Acid SCHEMBL4952786 0.88 ALDH1A1 (0.52) RAB9ANPC1ALDH1A3ALDH1A1ALDH1A2
SCHEMBL2128047 0.86 NR4A2 (0.48) RAB9ANPC1MAPTALDH1A3ALDH1A1
SCHEMBL4954128 0.82 NR4A2 (0.54) RAB9ANPC1MAPTALDH1A3ALDH1A1
SCHEMBL2127100 0.82 NPC1 (0.60) RAB9ANPC1MAPTALDH1A3ALDH1A1
SCHEMBL4950389 0.81 RAB9A (0.39) RAB9ANPC1MAPTALDH1A3ALDH1A1
SCHEMBL2126828 0.81 ALDH1A3 (0.55) RAB9ANPC1ALDH1A3ALDH1A1ALDH1A2
SCHEMBL2428023 0.78 APP (0.56) RAB9ANPC1ALDH1A3ALDH1A1ALDH1A2
SCHEMBL4951846 0.78 CHEK1 (0.44) RAB9ANPC1MAPTALDH1A3ALDH1A1
Acetic Acid SCHEMBL4952370 0.76 NPC1 (0.54) RAB9ANPC1MAPTALDH1A3ALDH1A1

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-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 US claimed
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents BOYKIN DAVID W 2005-12-22 US claimed
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 US disclosed
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents BOYKIN DAVID W 2005-12-22 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-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents PBRM1, QDPR, DHPS RAB9A 498/4885NPC1 3238/4885MAPT 2462/4885

“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.