SCHEMBL842907

SCHEMBL842907

O=C1CCN(C(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HTT P42858 3/20 0.63
RAB9A P51151 3/20 0.59
LMNA P02545 2/20 0.59
USP2 O75604 1/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
KCNN4 O15554 2/20 0.50
KCNA3 P22001 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
NOTUM Q6P988 1/20 0.50
NPC1 O15118 1/20 0.50
BRD4 O60885 1/20 0.47
STAT3 P40763 1/20 0.47
AVPR2 P30518 1/20 0.47
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
GAA P10253 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
SCHEMBL1495885 0.92 ALDH1A1 (0.58) HPGDALDH1A1HTTRAB9ALMNA
SCHEMBL7351134 0.88 AVPR2 (0.59) HPGDALDH1A1HTTRAB9ALMNA
SCHEMBL28021992 0.85 LMNA (0.68) HPGDALDH1A1HTTRAB9ALMNA
SCHEMBL4130157 0.84 RAB9A (0.70) HPGDALDH1A1HTTRAB9ALMNA
SCHEMBL7352575 0.83 ALDH1A1 (0.56) HPGDALDH1A1HTTRAB9ALMNA
SCHEMBL68111 0.83 KCNN4 (0.68) HPGDALDH1A1HTTRAB9ALMNA
SCHEMBL4123102 0.81 TSHR (0.65) HPGDALDH1A1HTTRAB9ALMNA
SCHEMBL6991836 0.81 AVPR2 (0.65) HPGDALDH1A1HTTLMNAUSP2
SCHEMBL30530554 0.80 BRD4 (0.57) HPGDALDH1A1HTTRAB9ALMNA
SCHEMBL27197574 0.80 BRD4 (0.57) HPGDALDH1A1HTTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 HPGD 202/4885ALDH1A1 142/4885HTT 4154/4885

“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.