SCHEMBL10155124

SCHEMBL10155124

Fc1ccc2[nH]c3c(c2c1)CNCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
RAD52 P43351 1/20 0.49
KMT2A Q03164 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
BAZ2B Q9UIF8 1/20 0.47
MAPT P10636 5/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 3/20 0.45
ACHE P22303 1/20 0.45
POLB P06746 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
SCHEMBL2243566 0.91 PARP1 (0.67) PARP1RAD52KMT2ATAAR1SIRT2
Hydrochloric Acid SCHEMBL21630948 0.89 PARP1 (0.65) PARP1RAD52KMT2ATAAR1SIRT2
SCHEMBL10155123 0.85 SIRT2 (0.62) PARP1RAD52KMT2ATAAR1SIRT2
SCHEMBL12868074 0.82 BAZ2B (0.49) PARP1RAD52KMT2ABAZ2BLMNA
SCHEMBL6826753 0.82 MAPT (0.60) KMT2ABAZ2BMAPTTP53LMNA
SCHEMBL2304020 0.82 RAD52 (0.49) RAD52KMT2ATAAR1SIRT2BAZ2B
SCHEMBL2301247 0.82 SIRT2 (0.61) RAD52KMT2ATAAR1SIRT2BAZ2B
SCHEMBL2969878 0.81 LMNA (0.62) PARP1BAZ2BLMNA
SCHEMBL30685317 0.81 LMNA (0.62) PARP1BAZ2BLMNA
Hydrochloric Acid SCHEMBL9485106 0.80 LMNA (0.61) PARP1TAAR1BAZ2BLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 EP disclosed
WO-2008060190-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-05-22 WO disclosed
WO-2008024029-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-02-28 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 (2 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC PARP1 2055/4885RAD52 4412/4885KMT2A 4146/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B PARP1 3486/4885RAD52 3768/4885KMT2A 3892/4885

“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.