SCHEMBL7108698

SCHEMBL7108698

COc1[c]nc2ccccc2c1-c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
PDPK1 O15530 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
TACR3 P29371 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TGFBR1 P36897 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
SCHEMBL7449092 0.79 ALDH1A1 (0.37) RAB9APOLBCYP1A2NPC1
SCHEMBL7455270 0.78 KDM4E (0.40) RAB9AMEN1KMT2AADORA2AADORA1
SCHEMBL7111055 0.77 MAPT (0.45) RAB9AMEN1KMT2AADORA3POLB
SCHEMBL577568 0.74 CCR4 (0.36) POLB
SCHEMBL577867 0.74 MEN1 (0.33) MEN1KMT2APOLB
SCHEMBL7110679 0.73 PDPK1 (0.38) RAB9APDPK1TUBB4ATUBBTUBA3C
SCHEMBL7112453 0.73 CYP3A4 (0.39) MEN1KMT2APOLBCYP1A2
SCHEMBL7114136 0.73 BRD4 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4453754 0.72 ALDH1A1 (0.42) RAB9APDPK1TGFBR1MEN1KMT2A
SCHEMBL577937 0.70 TLR8 (0.33) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 US disclosed
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO 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 (2 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-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 RAB9A 1591/4885PDPK1 3966/4885TUBB4A 866/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 RAB9A 1158/4885PDPK1 3673/4885TUBB4A 637/4885

“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.