SCHEMBL14890641

SCHEMBL14890641

O=C(NN1CCc2ccccc2C1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.62
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
PRMT5 O14744 2/20 0.52
WDR77 Q9BQA1 2/20 0.52
AKR1C3 P42330 2/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
DRD2 P14416 1/20 0.47

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
Benzenesulfonamide SCHEMBL16238901 0.89 CA1 (0.56) LIPEHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL16239255 0.88 TNF (0.55) LIPEHTTKDM4EALDH1A1MAPT
SCHEMBL14907137 0.88 LIPE (0.55) LIPEHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL14907228 0.88 LIPE (0.66) LIPESMN1; SMN2KDM4EALDH1A1PRMT5
SCHEMBL16238884 0.86 LIPE (0.51) LIPEMAPT
SCHEMBL7479368 0.85 LIPE (0.68) LIPEHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL16239253 0.84 NPC1 (0.55) LIPEHTTSMN1; SMN2KDM4EMAPT
SCHEMBL14890633 0.84 LIPE (0.73) LIPESMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL16251376 0.82 LIPE (0.50) LIPEHTTSMN1; SMN2KDM4EKMT2A
SCHEMBL16251377 0.80 TRPV1 (0.51) LIPESMN1; SMN2KDM4EMAPTKMT2A

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-8546426-B2 N-aminotetrahydroisoquinolines as anti-cancer agents Florida A&M University Board of Trustees (US) 2013-10-01 US disclosed
US-8546426-B2 N-aminotetrahydroisoquinolines as anti-cancer agents Florida A&M University Board of Trustees (US) 2013-10-01 US disclosed
US-20130109716-A1 N-AMINOTETRAHYDROISOQUINOLINES AS ANTI-CANCER AGENTS Florida A&M University Board of Trustees (US) 2013-05-02 US disclosed
US-20130109716-A1 N-AMINOTETRAHYDROISOQUINOLINES AS ANTI-CANCER AGENTS Florida A&M University Board of Trustees (US) 2013-05-02 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-20130109716-A1 N-AMINOTETRAHYDROISOQUINOLINES AS ANTI-CANCER AGENTS TNS4, BRCA1, MKI67 LIPE 4473/4885HTT 2783/4885SMN1; SMN2 4067/4885

“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.