SCHEMBL10079871

SCHEMBL10079871

O=C(Cc1cccc2ccccc12)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.72
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 3/20 0.67
KDM4E B2RXH2 2/20 0.67
HPGD P15428 1/20 0.67
PTGER4 P35408 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TDP1 Q9NUW8 1/20 0.64
POLB P06746 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL1947868 0.90 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL14344582 0.89 KMT2A (0.64) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL14344586 0.88 KMT2A (0.62) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL13467798 0.88 KMT2A (0.63) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL13451636 0.88 KMT2A (0.63) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL13451626 0.84 PTPN1 (0.66) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL28561400 0.84 MAPT (0.60) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL22334922 0.84 KMT2A (0.58) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL1233242 0.84 AKR1C3 (0.62) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL1233241 0.84 AKR1C3 (0.62) ALDH1A1KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173841-B2 Tetrahydro-naphthalene derivatives XENTION LIMITED (GB) 2012-05-08 US disclosed
US-20110178088-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2011-07-21 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-20110178088-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES OPRL1, OPRK1, VAT1 ALDH1A1 541/4885KMT2A 4533/4885MEN1 3717/4885

“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.