SCHEMBL16509197

SCHEMBL16509197

Cc1ccc2nc(-c3ccc(C#Cc4ccc(F)cc4)cc3)n(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ APP P05067 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RORC P51449 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GRIA1 P42261 1/20 0.38
▸ CACNG8 Q8WXS5 1/20 0.38
▸ CACNG2 Q9Y698 1/20 0.38

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
SCHEMBL16509196 0.85 ADORA3 (0.46) KDM4ENPC1RAB9ACYP1A2GAA
SCHEMBL13844297 0.81 HTT (0.47) KDM4ENPC1RAB9ACYP1A2CYP2C9
SCHEMBL16509324 0.77 NPC1 (0.50) KDM4ENPC1RAB9ACYP1A2GAA
SCHEMBL16509296 0.77 KDM4E (0.50) KDM4ENPC1RAB9ACYP1A2GAA
SCHEMBL14922007 0.77 KDM4E (0.69) KDM4ENPC1RAB9ACYP1A2GAA
SCHEMBL16509244 0.75 ADORA3 (0.51) KDM4ENPC1RAB9ACYP1A2GAA
SCHEMBL16509206 0.75 RAB9A (0.51) KDM4ENPC1RAB9ACYP1A2GAA
SCHEMBL16509266 0.75 RAB9A (0.48) KDM4ENPC1RAB9ACYP1A2GAA
SCHEMBL16509173 0.75 RORC (0.67) GAASMN1; SMN2RORC
SCHEMBL16509299 0.74 KDM4E (0.56) KDM4ENPC1RAB9ACYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306611-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2011-12-15 — — 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-20110306611-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB GRM5 4389/4885KDM4E 360/4885NPC1 3055/4885

“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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