SCHEMBL2624115

SCHEMBL2624115

Oc1nc(-c2ccccc2)cc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NTSR1 P30989 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 3/20 0.39
WDR5 P61964 2/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL2624113 0.80 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL903598 0.72 BCL2L1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL20978166 0.69 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL30952395 0.69 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HPGDBCL2L1
SCHEMBL28179848 0.69 TSHR (0.44) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL17702699 0.68 NOS3 (0.47) SMN1; SMN2RAB9ARECQLNPC1
SCHEMBL4067545 0.68 PDE4B (0.37) MEN1KMT2ANTSR1ALDH1A1HPGD
SCHEMBL27013361 0.68 LMNA (0.56) ALDH1A1L3MBTL1MAPTPOLBLMNA
SCHEMBL16772616 0.68 MEN1 (0.64) MEN1KMT2ASMN1; SMN2BCL2L1BAD
SCHEMBL9875240 0.67 TSHR (0.42) HPGDL3MBTL1BCL2L1BAD

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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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 (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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 MEN1 4592/4885KMT2A 1601/4885NTSR1 3294/4885

“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.