SCHEMBL13475466

SCHEMBL13475466

N#CCC(=O)N(c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
MITF O75030 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 1/20 0.58
PTGS2 P35354 1/20 0.44
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
ADAM17 P78536 1/20 0.39
GPR84 Q9NQS5 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
SCHEMBL20334886 0.82 NPC1 (1.00) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL11202999 0.78 KMT2A (0.57) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL23094166 0.74 NPC1 (1.00) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL21467691 0.74 MAPT (0.81) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL7334283 0.74 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL12652713 0.73 NPC1 (0.81) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL13504941 0.73 NPC1 (0.81) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL7343483 0.73 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10617441 0.71 MEN1 (0.58) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1426369 0.70 ADAM17 (0.60) ALDH1A1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048563-A1 SUBSTITUTED INDOLEPYRIDINIUM AS ANTI-INFECTIVE COMPOUNDS KESTELEYN BART RUDOLF ROMANIE 2010-02-25 US disclosed
US-20100029635-A1 6,7,8,9-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES USEFUL AS ANTI-INFECTIVE PHARMACEUTICAL AGENTS KESTELEYN BART RUDOLF ROMANIE 2010-02-04 US disclosed
US-7622581-B2 6,7,8,9-substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-11-24 US disclosed
US-7608726-B2 5-(2-Morpholin-4-yl-ethyl)-1-(4-nitro-phenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile; 5-isobutyl-1-(4-nitro-phenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile; anti-retroviral agent TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-10-27 US disclosed
US-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones KESTELEYN BART R R 2007-10-25 US disclosed
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals TIBOTEC BVBA (BE) 2007-10-11 US disclosed
US-20070167434-A1 6,7,8,9-Substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents TIBOTEC BVBA (BE) 2007-07-19 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 (5 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-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones CYP8B1, CYP2S1, CYC1 ALDH1A1 954/4885MEN1 2135/4885KMT2A 2382/4885
US-20100029635-A1 6,7,8,9-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES USEFUL AS ANTI-INFECTIVE PHARMACEUTICAL AGENTS HRH4, CBR1, HRH2 ALDH1A1 1714/4885MEN1 3953/4885KMT2A 3815/4885
US-20070167434-A1 6,7,8,9-Substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents HRH4, CBR1, HRH2 ALDH1A1 1535/4885MEN1 3835/4885KMT2A 3899/4885
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals NR5A2, NR5A1, NR4A1 ALDH1A1 1204/4885MEN1 3984/4885KMT2A 2832/4885
US-20100048563-A1 SUBSTITUTED INDOLEPYRIDINIUM AS ANTI-INFECTIVE COMPOUNDS LTC4S, CYP8B1, CYP2E1 ALDH1A1 995/4885MEN1 1516/4885KMT2A 3943/4885

“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.