SCHEMBL22336091

SCHEMBL22336091

COc1ccc2c(c1)-c1ccc(N)cc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ TDP1 Q9NUW8 5/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ CYP3A4 P08684 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PTPRC P08575 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ APAF1 O14727 1/20 0.55
▸ TDP2 O95551 1/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PLA2G1B P04054 1/20 0.55
▸ POLB P06746 1/20 0.55

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
SCHEMBL10885799 0.89 CA1 (0.53) ALDH1A1RAB9ACYP3A4MEN1HPGD
SCHEMBL2993382 0.85 CA1 (0.53) ALDH1A1RAB9ACYP3A4PTPRCMEN1
SCHEMBL2252533 0.85 CA1 (0.57) ALDH1A1RAB9ACYP3A4MEN1HPGD
SCHEMBL7451901 0.85 CA1 (0.57) ALDH1A1RAB9ACYP3A4MEN1HPGD
SCHEMBL8076766 0.85 CA1 (0.57) ALDH1A1TDP1RAB9ACYP3A4NPC1
SCHEMBL7786812 0.85 CA1 (0.57) ALDH1A1RAB9ACYP3A4MEN1HPGD
SCHEMBL30629120 0.85 CA1 (0.57) ALDH1A1TDP1RAB9ACYP3A4NPC1
SCHEMBL31087632 0.83 NPC1 (0.78) ALDH1A1TDP1RAB9ACYP3A4NPC1
SCHEMBL9019017 0.83 NPC1 (0.78) ALDH1A1TDP1RAB9ACYP3A4NPC1
SCHEMBL4645032 0.82 PTPN1 (0.58) ALDH1A1TDP1RAB9ACYP3A4NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315895-A1 METHODS OF MAKING OLIGOPOTENT AND UNIPOTENT PRECURSORS IMMUNEBRIDGE LLC 2022-10-06 — — US disclosed
WO-2020223517-A1 METHODS OF MAKING OLIGOPOTENT AND UNIPOTENT PRECURSORS TRANSFUSION HEALTH, LLC (US) 2020-11-05 — — WO disclosed
US-20200255371-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING DERIVATIVES OF FLUORENE IMMUNEBRIDGE LLC 2020-08-13 — — 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 (2 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-20200255371-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING DERIVATIVES OF FLUORENE FLI1, MCL1, HCLS1 ALDH1A1 193/4885TDP1 3727/4885RAB9A 775/4885
US-20220315895-A1 METHODS OF MAKING OLIGOPOTENT AND UNIPOTENT PRECURSORS MCL1, CD14, ICOS ALDH1A1 541/4885TDP1 1119/4885RAB9A 1005/4885

“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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