SCHEMBL5241608

SCHEMBL5241608

Cc1c(C2CCNCC2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.36
▸ PLAT P00750 3/20 0.34
▸ ADRB3 P13945 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ DRD1 P21728 2/20 0.33
▸ DRD5 P21918 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ P2RY14 Q15391 2/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TOP2B Q02880 1/20 0.33
▸ GABRA1 P14867 1/20 0.33

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
SCHEMBL15261845 0.84 NOTUM (0.33) NOTUMALDH1A1KCNH2SCN5A
SCHEMBL20083178 0.84 NOTUM (0.33) NOTUMALDH1A1KCNH2SCN5A
SCHEMBL4747781 0.84 NOTUM (0.39) NOTUMKDM4ECYP1A2TOP2ATOP2B
SCHEMBL5279980 0.83 KDM4E (0.40) NOTUMKDM4EALDH1A1LMNAHPGD
SCHEMBL8574310 0.83 NOTUM (0.32) NOTUM
Hydrochloric Acid SCHEMBL7502813 0.82 KDM4E (0.39) NOTUMKDM4EALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL7502728 0.82 NOTUM (0.32) NOTUM
SCHEMBL5571811 0.82 KCNH2 (0.33) NOTUMKCNH2SCN5A
SCHEMBL5571814 0.82 KCNH2 (0.33) NOTUMKCNH2SCN5A
SCHEMBL27717011 0.82 KCNH2 (0.33) NOTUMKCNH2SCN5A

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
CN-101065385-A Rifamycin derivatives for treating microbial infections CUMBRE PHARMACEUTICALS INC (US) 2007-10-31 — — CN disclosed
US-7229996-B2 Rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2007-06-12 — — US disclosed
EP-1781670-A1 RIFAMYCIN DERIVATIVES FOR TREATING MICROBIAL INFECTIONS Cumbre Pharmaceuticals Inc. (US) 2007-05-09 — — EP disclosed
WO-2006012470-A1 RIFAMYCIN DERIVATIVES FOR TREATING MICROBIAL INFECTIONS CUMBRE PHARMACEUTICALS INC. (US) 2006-02-02 — — WO disclosed
US-20060019985-A1 Rifamycin derivatives CUMBRE INC. (US) 2006-01-26 — — 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-20060019985-A1 Rifamycin derivatives RIF1, NQO1, MRM1 NOTUM 4146/4885PLAT 4850/4885ADRB3 3287/4885

“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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