SCHEMBL15980818

SCHEMBL15980818

CC(C)NCCc1ccc2nc(Br)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
TUBB4A P04350 6/20 0.40
TUBB P07437 6/20 0.40
TUBA3C P0DPH7 6/20 0.40
TUBA1B P68363 6/20 0.40
TUBA4A P68366 6/20 0.40
TUBB4B P68371 6/20 0.40
TUBB3 Q13509 6/20 0.40
TUBB2A Q13885 6/20 0.40
TUBB8 Q3ZCM7 6/20 0.40
TUBA3E Q6PEY2 6/20 0.40
TUBA1A Q71U36 6/20 0.40
TUBA1C Q9BQE3 6/20 0.40
TUBB6 Q9BUF5 6/20 0.40
TUBB2B Q9BVA1 6/20 0.40
TUBB1 Q9H4B7 6/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
MPO P05164 1/20 0.39

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
SCHEMBL14756112 0.84 TAAR1 (0.46) ALDH1A1ALOX15TUBB4ATUBBTUBA3C
SCHEMBL15981427 0.81 ALDH1A1 (0.57) ALDH1A1ALOX15TUBB4ATUBBTUBA3C
SCHEMBL14756108 0.76 RAD52 (0.58) ALDH1A1ALOX15RAB9AS1PR4S1PR1
SCHEMBL9305648 0.74 S1PR4 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15980817 0.74 QPCT (0.47) RAD52HTT
SCHEMBL15980815 0.74 SIGMAR1 (0.38) LMNACYP1A2CYP2D6TSHRHIF1A
SCHEMBL15980809 0.72 MTNR1A (0.43)
SCHEMBL15980813 0.72 NPC1 (0.35) LMNARAB9ACYP1A2CYP2D6TSHR
SCHEMBL15980816 0.71 BACE1 (0.46) POLBKMT2A
SCHEMBL15981490 0.69 HIF1A (0.36) ALDH1A1ALOX15LMNARAB9ACYP1A2

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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 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 (3 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 ALDH1A1 4558/4885ALOX15 4806/4885TUBB4A 1977/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 ALDH1A1 4589/4885ALOX15 4571/4885TUBB4A 1485/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 ALDH1A1 4211/4885ALOX15 4022/4885TUBB4A 1457/4885

“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.