SCHEMBL7110679

SCHEMBL7110679

COc1n[c]c2ccccc2c1-c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
RAB9A P51151 3/20 0.35
SMPD3 Q9NY59 1/20 0.35
CYP1A2 P05177 3/20 0.34

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
SCHEMBL7447549 0.79 MAPT (0.43) CYP1A2ALDH1A1CYP2C19RECQL
SCHEMBL7111069 0.79 ALDH1A1 (0.39) CYP1A2ALDH1A1CYP2C19RECQL
SCHEMBL7107250 0.74 RECQL (0.40) CYP1A2ALDH1A1CYP2C19RECQL
SCHEMBL7111035 0.73 BRD4 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7108698 0.73 RAB9A (0.38) PDPK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9218409 0.70 ALDH1A1 (0.45) CYP1A2ALDH1A1CYP2C19
SCHEMBL638668 0.70 ALDH1A1 (0.45) RAB9ACYP1A2ALDH1A1CYP2C19NPC1
SCHEMBL637848 0.68 ALDH1A1 (0.44) CYP1A2ALDH1A1CYP2C19
SCHEMBL26259451 0.68 SMPD3 (0.47) PDPK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL26259281 0.68 MAPT (0.60) PDPK1TUBB4ATUBBTUBA3CTUBA1B

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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 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 (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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 PDPK1 3673/4885TUBB4A 637/4885TUBB 281/4885

“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.