SCHEMBL2877376

SCHEMBL2877376

CC1(C)c2ccccc2NC(=O)N1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ AKR1B1 P15121 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ APOBEC3A P31941 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SUV39H1 O43463 1/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL13769940 0.91 PDK2 (0.40) PDK2PDK4KDM4EAKR1B1ALDH1A1
Hydrochloric Acid SCHEMBL4005503 0.90 PDK4 (0.39) PDK2PDK4KDM4EAKR1B1ALDH1A1
SCHEMBL2879602 0.80 PDK2 (0.39) PDK2PDK4KDM4EAKR1B1ALDH1A1
SCHEMBL4003437 0.79 GPR119 (0.47) KDM4EMAPK1
SCHEMBL13907675 0.72 AKR1B1 (0.54) PDK2PDK4AKR1B1ALDH1A1BRD4
SCHEMBL13041627 0.69 ALDH1A1 (0.42) KDM4EALDH1A1OPRM1OPRK1OPRL1
SCHEMBL17881253 0.67 PDK2 (0.38) PDK2PDK4AKR1B1ALDH1A1MAPK1
SCHEMBL16566112 0.67 PDK2 (0.58) PDK2PDK4ALDH1A1APOBEC3AHTT
SCHEMBL14170143 0.66 ADRA2A (0.37) KDM4EOPRM1OPRK1OPRL1
SCHEMBL17881395 0.66 BRD4 (0.51) PDK2PDK4AKR1B1ALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 — — WO disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 — — 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 PDK2 2964/4885PDK4 2851/4885KDM4E 3678/4885

“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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