SCHEMBL16501717

SCHEMBL16501717

CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)O)cc4n3O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ P4HTM Q9NXG6 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HDAC4 P56524 1/20 0.46
▸ KCNK3 O14649 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ PRSS12 P56730 1/20 0.44

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
SCHEMBL16501724 0.93 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16501725 0.92 MAPT (0.53) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16501719 0.92 MAPT (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16509204 0.91 MAPT (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13959006 0.90 MAPT (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16501726 0.89 MAPT (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12325801 0.89 MAPT (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16501702 0.89 NPC1 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13783502 0.88 MAPT (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16501716 0.87 HDAC4 (0.53) MAPTALDH1A1NPC1RAB9ASMN1; 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 2 patents. 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
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 MAPT 4415/4885ALDH1A1 3948/4885NPC1 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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