SCHEMBL617824

SCHEMBL617824

Cc1nc2cc(N)ccc2n1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.68
KDM4E B2RXH2 5/20 0.64
RAD52 P43351 1/20 0.64
ALDH1A1 P00352 5/20 0.58
MAPT P10636 2/20 0.55
PKM P14618 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
GALR3 O60755 2/20 0.55
NR2F2 P24468 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 2/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PPARG P37231 1/20 0.49
DCTPP1 Q9H773 2/20 0.49

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
SCHEMBL615476 0.88 TNF (0.68) TNFKDM4ERAD52ALDH1A1GALR3
SCHEMBL10983849 0.85 TNF (0.71) TNFKDM4EALDH1A1MAPTPKM
SCHEMBL12771510 0.84 TNF (0.69) TNFKDM4EALDH1A1MAPTPKM
SCHEMBL11449498 0.83 KDM4E (0.63) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3974904 0.82 TNF (0.77) TNFKDM4EALDH1A1MAPTMEN1
SCHEMBL317642 0.82 DCTPP1 (0.70) TNFKDM4EALDH1A1MAPTPKM
SCHEMBL231295 0.81 TNF (1.00) TNFKDM4EALDH1A1MAPTMEN1
SCHEMBL17380972 0.80 DCTPP1 (0.69) TNFKDM4EALDH1A1MAPTPKM
SCHEMBL616998 0.80 KDM4E (0.97) KDM4ERAD52ALDH1A1MAPTTDP1
SCHEMBL5863348 0.79 KDM4E (0.81) KDM4EALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 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 (4 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-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 TNF 1599/4885KDM4E 2033/4885RAD52 2526/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 TNF 3386/4885KDM4E 565/4885RAD52 947/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 TNF 3386/4885KDM4E 565/4885RAD52 947/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 TNF 4150/4885KDM4E 893/4885RAD52 762/4885

“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.