SCHEMBL623380

SCHEMBL623380

C=CCn1c(C)nc2ccc(N)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ HPGD P15428 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ RAD52 P43351 1/20 0.50
▸ AURKA O14965 1/20 0.46
▸ BRD4 O60885 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ ACSS2 Q9NR19 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL623760 0.88 KDM4E (0.66) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL615475 0.81 KDM4E (0.73) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2879788 0.78 KDM4E (0.66) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL617957 0.77 KDM4E (0.51) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL626382 0.76 MEN1 (0.50) ALDH1A1MAPTGAALMNAPOLB
SCHEMBL939056 0.76 TLR8 (0.56) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL2146907 0.75 KDM4E (0.62) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL615476 0.75 TNF (0.68) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL3622413 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL23459663 0.72 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTSMN1; SMN2

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 KDM4E 2033/4885ALDH1A1 236/4885HPGD 114/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 KDM4E 565/4885ALDH1A1 1319/4885HPGD 2152/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 KDM4E 565/4885ALDH1A1 1319/4885HPGD 2152/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 KDM4E 893/4885ALDH1A1 553/4885HPGD 2337/4885

“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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