SCHEMBL6694019

SCHEMBL6694019

CC(=O)Nc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NQO2 P16083 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ CHEK1 O14757 1/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ NEK2 P51955 1/20 0.48
▸ MAPK15 Q8TD08 1/20 0.48
▸ CYP1A2 P05177 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
SCHEMBL22167182 0.88 MGLL (0.54) MAPTALDH1A1MEN1KMT2A
SCHEMBL9314587 0.87 MGLL (0.45) MAPTALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL9573406 0.86 MAPT (0.43) MAPTALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL950001 0.85 CYP3A4 (0.60) MAPTALDH1A1SMN1; SMN2TP53KDM4E
Acitazanolast SCHEMBL342549 0.84 GPR35 (0.54) MAPTALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL15094744 0.84 KMT2A (0.49) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL730434 0.84 FYN (0.50) MAPTALDH1A1SMN1; SMN2TP53KDM4E
Acitazanolast SCHEMBL3116621 0.83 GPR35 (0.53) MAPTALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL12892198 0.82 SMN1; SMN2 (0.56) MAPTALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL956335 0.81 HPGD (0.60) MAPTALDH1A1SMN1; SMN2TP53KDM4E

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-20040248950-A1 Apo ai expression accelerating agent SHIONOGI & CO., LTD. (JP) 2004-12-09 — — US disclosed
EP-1419770-A1 APO AI EXPRESSION ACCELERATING AGENT SHIONOGI & CO., LTD. (JP) 2004-05-19 — — EP 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-20040248950-A1 Apo ai expression accelerating agent APOB, APOL1, NR1H2 MAPT 4864/4885ALDH1A1 2204/4885SMN1; SMN2 1789/4885

“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.

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