SCHEMBL4936017

SCHEMBL4936017

C=C(c1cc(NC(C)=O)c(O)c(OC)c1)c1ccc2ccc(C#N)c(O)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ PIM1 P11309 2/20 0.39
▸ TSHR P16473 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ LRRK2 Q5S007 4/20 0.35
▸ PDE4D Q08499 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34

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
SCHEMBL4936010 0.78 PIM1 (0.57) ALDH1A1PIM1MEN1KMT2AHPGD
SCHEMBL5610539 0.68 LMNA (0.68) ALDH1A1TSHRABCC1TOP2AHSD17B1
SCHEMBL3861931 0.67 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL11798000 0.65 ALDH1A1 (0.61) ALDH1A1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL27118919 0.63 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B1HSD17B2MEN1
SCHEMBL9670557 0.62 TUBB4A (0.47) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16148661 0.61 EGFR (0.54) ALDH1A1MEN1KMT2AEGFRERBB2
SCHEMBL16148658 0.61 EGFR (0.54) ALDH1A1MEN1KMT2AEGFRERBB2
SCHEMBL13915761 0.60 STK4 (0.56) EGFRERBB2
SCHEMBL18031473 0.60 GAA (0.49) ALDH1A1MEN1KMT2AEGFR

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-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 — — US claimed
WO-2006129134-A1 SYNERGIC COMBINATIONS COMPRISING A STYRYLQUINOLINE COMPOUND AND OTHER HIV INFECTION THERAPEUTIC AGENTS BIOALLIANCE PHARMA (FR) 2006-12-07 — — WO claimed
US-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 — — US disclosed
WO-2006129134-A1 SYNERGIC COMBINATIONS COMPRISING A STYRYLQUINOLINE COMPOUND AND OTHER HIV INFECTION THERAPEUTIC AGENTS BIOALLIANCE PHARMA (FR) 2006-12-07 — — WO 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-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CTSL, CDKL1, QTRT2 ALDH1A1 2239/4885PIM1 1303/4885TSHR 4841/4885

“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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