SCHEMBL13326850

SCHEMBL13326850

O=C(Cc1ccc(Br)c(O)c1F)c1cccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
POLB P06746 1/20 0.38
EGFR P00533 2/20 0.38
AGTR1 P30556 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL7633274 0.76 LMNA (0.58) LMNASMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL3579244 0.76 ALDH1A1 (0.50) LMNASMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL13326843 0.74 GPR35 (0.37) LMNASMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL13326868 0.73 MEP1A (0.41) LMNASMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL13326851 0.72 KCNA5 (0.31)
SCHEMBL218606 0.70 LMNA (0.61) LMNASMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL14347688 0.70 LMNA (0.61) LMNASMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL12134607 0.68 MEP1A (0.44) KMT2AMEN1TDP1L3MBTL1ALDH1A1
SCHEMBL8237046 0.67 SMN1; SMN2 (0.61) LMNASMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL14277131 0.67 LMNA (0.61) LMNASMN1; SMN2KMT2AMEN1CYP1A2

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-7713974-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
US-20080045511-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-02-21 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-20080045511-A1 Non-nucleoside reverse transcriptase inhibitors ADORA2B, ADORA1, ADORA3 LMNA 2788/4885SMN1; SMN2 3560/4885KMT2A 721/4885

“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.