SCHEMBL10102133

SCHEMBL10102133

Cc1c(F)nc(N2CCN(C)CC2)c(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.46
SMO Q99835 1/20 0.41
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL13074613 0.88 NPC1 (0.40)
SCHEMBL10102066 0.81 PTPN1 (0.41) MAPTKMT2ATSHR
SCHEMBL10102173 0.81 MAPT (0.43) MAPTKMT2A
SCHEMBL12108726 0.75 PTPN1 (0.39) MAPTMAPK1KMT2AALDH1A1GAA
SCHEMBL9286180 0.74 HRH3 (0.39) KMT2AALDH1A1
SCHEMBL10101766 0.74 PTPN1 (0.43) MAPTKMT2ATSHR
SCHEMBL12108773 0.73 PTPN1 (0.38) USP2MAPTMAPK1KMT2AALDH1A1
SCHEMBL20370139 0.73 PTPN1 (0.45) MAPK1KMT2A
SCHEMBL10102086 0.73 PTPN1 (0.43) MAPTKMT2AGAA
SCHEMBL9279822 0.72 PTPN1 (0.44) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 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-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 HRH4 3688/4885SMO 978/4885USP2 3915/4885

“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.