SCHEMBL11949052

SCHEMBL11949052

CCCCOC(=O)Nc1cc2nc(-c3ccccc3OC)[nH]c2cc1N(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ EGFR P00533 6/20 0.41
▸ KDR P35968 6/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 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
SCHEMBL11949048 0.95 ABL1 (0.44) KDM4EHSD17B10ABL1HDAC6EGFR
SCHEMBL11948989 0.90 ABL1 (0.47) HSD17B10ABL1HDAC6PDE5ABRPF1
SCHEMBL14046892 0.89 TUBB4A (0.42) KDM4EALDH1A1TSHRL3MBTL1NPSR1
SCHEMBL11949055 0.88 RAF1 (0.47) ABL1HDAC6PDE5ABRPF1NPC1
SCHEMBL11949049 0.87 HDAC6 (0.45) KDM4EHSD17B10ALDH1A1TSHRL3MBTL1
SCHEMBL11949056 0.87 TUBB4A (0.44) KDM4EHSD17B10ALDH1A1LMNANPSR1
SCHEMBL11948992 0.86 HDAC6 (0.44) KDM4EHSD17B10ALDH1A1TSHRL3MBTL1
SCHEMBL3097365 0.86 SMN1; SMN2 (0.46) KDM4EHSD17B10ALDH1A1TSHRL3MBTL1
SCHEMBL11949046 0.86 ALOX15 (0.48) HSD17B10L3MBTL1ABL1HDAC6PDE5A
SCHEMBL11949051 0.85 ADORA3 (0.50) KDM4EALDH1A1LMNAABL1HDAC6

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-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — 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-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF TBCD, TBC1D5, CFTR KDM4E 2675/4885HSD17B10 2222/4885ALDH1A1 405/4885

“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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