SCHEMBL16509266

SCHEMBL16509266

CSc1ccc(-c2nc3ccc(C)cc3n2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ DHODH Q02127 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP11B2 P19099 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
SCHEMBL12325426 0.82 KDM4E (0.43) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL16509324 0.82 NPC1 (0.50) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL16509296 0.82 KDM4E (0.50) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL14922007 0.81 KDM4E (0.69) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL14105332 0.80 MAPT (0.49) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL16509206 0.79 RAB9A (0.51) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL16509244 0.79 ADORA3 (0.51) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL16509299 0.78 KDM4E (0.56) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL16509229 0.78 KDM4E (0.47) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL16509197 0.75 GRM5 (0.45) RAB9ANPC1KDM4EGAASMN1; SMN2

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 RAB9A 4067/4885NPC1 3055/4885KDM4E 360/4885

“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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