SCHEMBL13429810

SCHEMBL13429810

Cc1cn(-c2ccc(Br)cn2)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.49
TUBB P07437 3/20 0.49
TUBA3C P0DPH7 3/20 0.49
TUBA1B P68363 3/20 0.49
TUBA4A P68366 3/20 0.49
TUBB4B P68371 3/20 0.49
TUBB3 Q13509 3/20 0.49
TUBB2A Q13885 3/20 0.49
TUBB8 Q3ZCM7 3/20 0.49
TUBA3E Q6PEY2 3/20 0.49
TUBA1A Q71U36 3/20 0.49
TUBA1C Q9BQE3 3/20 0.49
TUBB6 Q9BUF5 3/20 0.49
TUBB2B Q9BVA1 3/20 0.49
TUBB1 Q9H4B7 3/20 0.49
ALDH1A1 P00352 3/20 0.43
DPP4 P27487 1/20 0.38
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIN2D O15399 1/20 0.36

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
SCHEMBL29205287 0.79 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1403777 0.77 KDM4E (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29205336 0.74 KCNJ1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25317305 0.74 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2065882 0.74 CYP3A4 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4630230 0.74 GRM5 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29205322 0.73 MAPT (0.50) ALDH1A1NPSR1MAPTGAA
SCHEMBL30317654 0.71 SMN1; SMN2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31087014 0.70 CYP2E1 (0.44) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13430089 0.69 BRD4 (0.39) ALDH1A1DPP4TSHRGRIN2DGRIN3B

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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT TUBB4A 1590/4885TUBB 728/4885TUBA3C 1186/4885

“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.