SCHEMBL3304570

SCHEMBL3304570

CC(c1ccccc1)n1cnc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
HPGD P15428 1/20 1.00
HSD17B10 Q99714 1/20 1.00
NR1I2 O75469 1/20 0.46
HTT P42858 1/20 0.46
APAF1 O14727 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LCK P06239 2/20 0.44
HDAC8 Q9BY41 1/20 0.43
TSHR P16473 1/20 0.42
TNF P01375 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
USP5 P45974 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15539513 1.00 MEN1 (1.00) MEN1KMT2AHPGDHSD17B10NR1I2
SCHEMBL15540388 1.00 MEN1 (1.00) MEN1KMT2AHPGDHSD17B10NR1I2
Hydrochloric Acid SCHEMBL29006873 0.85 MEN1 (0.74) MEN1KMT2AHPGDHSD17B10NR1I2
SCHEMBL10219787 0.82 KMT2A (0.68) MEN1KMT2AHPGDHSD17B10NR1I2
SCHEMBL5865198 0.81 MEN1 (0.69) MEN1KMT2AHPGDHSD17B10HTT
SCHEMBL1027011 0.81 HPGD (0.68) MEN1KMT2AHPGDHSD17B10HTT
SCHEMBL2146965 0.81 MEN1 (0.68) MEN1KMT2AHPGDHSD17B10HTT
SCHEMBL4233005 0.79 MEN1 (0.66) MEN1KMT2AHPGDHSD17B10HTT
Hydrochloric Acid SCHEMBL9787788 0.79 HPGD (0.66) MEN1KMT2AHPGDHSD17B10HTT
Bromide SCHEMBL10432863 0.79 HPGD (0.66) MEN1KMT2AHPGDHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428293-B Adjust the benzimidazole of TNF α UCB生物制药私人有限公司 2018-06-08 CN disclosed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
EP-1401838-B1 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2014-03-26 EP disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 WO disclosed
US-8216800-B2 Substrates for detecting peptidase activity and methods using the substrates BIOMERIEUX (FR) 2012-07-10 US disclosed
US-7732437-B2 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN PHARMACEUTICA, NV. (BE) 2010-06-08 US disclosed
US-20100099128-A1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX (FR) 2010-04-22 US disclosed
US-7476662-B2 Substituted tetracyclic imidazole derivatives, processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-13 US disclosed
EP-1451196-B1 The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 EP disclosed
US-20050070525-A1 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN-CILAG GMBH (DE) 2005-03-31 US disclosed
EP-1451196-A1 THE USE OF ANTI-HISTAMINICS FOR ACUTE REDUCTION OF ELEVATED INTRACRANIAL PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-01 EP disclosed
US-20040167138-A1 Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-26 US disclosed
EP-1401838-A2 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-31 EP disclosed
WO-2003044023-A1 THE USE OF ANTI-HISTAMINICS FOR ACUTE REDUCTION OF ELEVATED INTRACRANIAL PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-30 WO disclosed
WO-2002100862-A2 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2002-12-19 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 (4 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA MEN1 3836/4885KMT2A 3732/4885HPGD 1362/4885
US-20050070525-A1 Use of anti-histaminics for acute reduction of elevated intracranial pressure HRH2, HRH3, HRH4 MEN1 1022/4885KMT2A 340/4885HPGD 90/4885
US-20100099128-A1 NOVEL PEPTIDASE SUBSTRATES XPNPEP1, DPEP1, DDAH1 MEN1 899/4885KMT2A 4000/4885HPGD 1975/4885
US-20040167138-A1 Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine AIFM1, PTGIS, ATP6V1B2 MEN1 1841/4885KMT2A 3372/4885HPGD 81/4885

“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.