SCHEMBL19137937

SCHEMBL19137937

c1cc2nc(-c3ccc(N4CCCCC4)cc3)[nH]c2cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ HPGD P15428 3/20 0.59
▸ PKM P14618 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ AURKA O14965 2/20 0.56
▸ NPBWR1 P48145 1/20 0.55
▸ HPSE Q9Y251 1/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ SIRT1 Q96EB6 1/20 0.51
▸ ACHE P22303 1/20 0.49
▸ METAP2 P50579 1/20 0.45
▸ METAP1 P53582 1/20 0.45
▸ CHEK2 O96017 2/20 0.45
▸ DGAT1 O75907 1/20 0.45
▸ SOAT1 P35610 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ NPY5R Q15761 1/20 0.44

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
SCHEMBL19175780 0.99 ALDH1A1 (0.61) ALDH1A1HPGDPKMKDM4ESMN1; SMN2
SCHEMBL19137926 0.88 AURKA (0.56) ALDH1A1HPGDPKMKDM4ESMN1; SMN2
SCHEMBL19137960 0.87 DGAT1 (0.60) ALDH1A1HPGDPKMKDM4ESMN1; SMN2
SCHEMBL19198151 0.76 SIRT2 (0.59) ALDH1A1HPGDSMN1; SMN2AURKANPBWR1
SCHEMBL19137947 0.76 CCR2 (0.58) ALDH1A1HPGDSMN1; SMN2AURKANPBWR1
SCHEMBL24075401 0.76 NPBWR1 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2AURKA
SCHEMBL3672172 0.75 ALDH1A1 (0.49) ALDH1A1HPGDPKMKDM4ESMN1; SMN2
SCHEMBL3672168 0.75 ALDH1A1 (0.49) ALDH1A1HPGDPKMKDM4ESMN1; SMN2
SCHEMBL9694046 0.75 ALDH1A1 (1.00) ALDH1A1HPGDPKMKDM4ESMN1; SMN2
SCHEMBL21565901 0.75 ALDH1A1 (0.71) ALDH1A1HPGDPKMKDM4ESMN1; SMN2

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
WO-2017132511-A1 BENZIMIDAZOLE COMPOUNDS, USE AS INHIBITORS OF WNT SIGNALING PATHWAY IN CANCERS, AND METHODS FOR PREPARATION THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2017-08-03 — — WO disclosed
US-20170210741-A1 Benzimidazole Compounds, Use As Inhibitors of WNT Signaling Pathway in Cancers, and Methods for Preparation Thereof SOUTHERN RESEARCH INSTITUTE 2017-07-27 — — US disclosed
US-20170210741-A1 Benzimidazole Compounds, Use As Inhibitors of WNT Signaling Pathway in Cancers, and Methods for Preparation Thereof SOUTHERN RESEARCH INSTITUTE 2017-07-27 — — US disclosed
US-20170210741-A1 Benzimidazole Compounds, Use As Inhibitors of WNT Signaling Pathway in Cancers, and Methods for Preparation Thereof SOUTHERN RESEARCH INSTITUTE 2017-07-27 — — 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-20170210741-A1 Benzimidazole Compounds, Use As Inhibitors of WNT Signaling Pathway in Cancers, and Methods for Preparation Thereof WNT1, WNT3, CTNNB1 ALDH1A1 1257/4885HPGD 2366/4885PKM 738/4885

“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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