SCHEMBL3943383

SCHEMBL3943383

O=C(c1ccccc1F)c1cccc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 0.50
TUBB2B Q9BVA1 2/20 0.50
TUBB1 Q9H4B7 2/20 0.50
GPR84 Q9NQS5 1/20 0.50
IGF1R P08069 1/20 0.47
SRC P12931 1/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 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
SCHEMBL8531453 0.82 GPR84 (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9640753 0.82 CDC25B (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9450062 0.82 GPR84 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31651424 0.82 GPR84 (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9266240 0.80 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30293901 0.76 CES2 (0.71) CES2CES1ALDH1A1ALOX15NPC1
SCHEMBL250099 0.76 CES2 (0.71) CES2CES1ALDH1A1ALOX15NPC1
SCHEMBL40257 0.75 NAPRT (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29684913 0.75 NAPRT (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12821415 0.75 GABRP (0.59) DHPSALDH1A1HDAC1HDAC2HDAC3

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-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 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-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES HRH4, HRH3, H1-3 TUBB4A 1726/4885TUBB 1728/4885TUBA3C 1591/4885

“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.