SCHEMBL10035172

SCHEMBL10035172

O=C(O)CON=C(Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ EPHX2 P34913 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ EPHX1 P07099 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ PTPN7 P35236 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTPN12 Q05209 1/20 0.45
▸ ALOX12 P18054 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL1060968 0.72 HPGD (0.64) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20787649 0.72 KMT2A (0.47) HPGDNPC1RAB9AEPHX2TP53
SCHEMBL871780 0.72 KMT2A (0.47) HPGDNPC1RAB9AEPHX2TP53
SCHEMBL27815262 0.72 SMN1; SMN2 (0.50) NPC1RAB9AEPHX2TP53EPHX1
SCHEMBL11291362 0.72 PTGIR (0.60) HPGDNPC1RAB9AEPHX2TP53
SCHEMBL8613026 0.72 TBXA2R (0.51) HPGDSMN1; SMN2ALDH1A1PTGIR
SCHEMBL19905402 0.70 ALDH1A1 (0.59) HPGDEPHX2MAPTMEN1ALDH1A1
SCHEMBL10035168 0.69 NPC1 (0.50) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL871924 0.69 NPC1 (0.50) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28075341 0.69 HPGD (0.56) HPGDNPC1RAB9AEPHX2SMN1; 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
EP-2376074-B1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS DRITTE PATENTPORTFOLIO BETEILI (DE) 2019-03-13 — — EP disclosed
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 — — US disclosed
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 — — US disclosed
WO-2010078867-A1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2010-07-15 — — 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-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals CYP2B6, CYP1A2, CYP2D6 HPGD 104/4885NPC1 951/4885RAB9A 2483/4885

“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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