SCHEMBL10054188

SCHEMBL10054188

CC(Oc1ccc(Br)cc1)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.80
▸ TSHR P16473 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ CRHBP P24387 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ CRHR2 Q13324 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ TDP1 Q9NUW8 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.55
▸ ACE P12821 2/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ ADORA2A P29274 1/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NOTUM Q6P988 1/20 0.50

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
SCHEMBL10053703 0.89 HPGD (1.00) HPGDTSHRLMNACRHBPMAPK1
SCHEMBL20248172 0.88 HPGD (0.80) HPGDTSHRLMNACRHBPMAPK1
SCHEMBL10054189 0.88 HPGD (0.80) HPGDTSHRLMNACRHBPMAPK1
SCHEMBL28052545 0.78 MAPT (0.66) HPGDTSHRSMN1; SMN2L3MBTL1TDP1
SCHEMBL28655184 0.76 TDP1 (0.63) HPGDTSHRLMNATDP1MAPT
SCHEMBL14946437 0.76 HPGD (0.63) HPGDSMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL12783352 0.76 ACE (0.70) HPGDSMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL16826397 0.76 ALDH1A1 (0.66) HPGDTSHRLMNACRHBPMAPK1
SCHEMBL17278349 0.75 ACE (0.68) HPGDTSHRLMNASMN1; SMN2TDP1
SCHEMBL16825812 0.75 ALDH1A1 (0.64) HPGDTSHRLMNACRHBPMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 — — US disclosed
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-10 — — 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-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System CLPP, TFPI, SI HPGD 2656/4885TSHR 3101/4885LMNA 4556/4885

“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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