SCHEMBL95065

SCHEMBL95065

ClCc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
HIF1A Q16665 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
LMNA P02545 2/20 0.68
KCNH2 Q12809 2/20 0.68
NR1I2 O75469 1/20 0.68
ABCB11 O95342 1/20 0.68
ESR1 P03372 1/20 0.68
CYP1A2 P05177 1/20 0.68
PGR P06401 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
PKM P14618 1/20 0.68
TSHR P16473 1/20 0.68
ADRA2B P18089 1/20 0.68
HTR2A P28223 1/20 0.68
CYP2C19 P33261 1/20 0.68
ADRA1A P35348 1/20 0.68

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
SCHEMBL134623 0.89 MEN1 (0.68) MEN1KMT2AHIF1ATDP1LMNA
SCHEMBL103530 0.89 MEN1 (1.00) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8022214 0.88 LMNA (0.79) MEN1KMT2AHIF1ATDP1LMNA
Hydrochloric Acid SCHEMBL10353601 0.87 MEN1 (0.97) MEN1KMT2AHIF1ATDP1LMNA
SCHEMBL95019 0.87 MEN1 (0.60) MEN1KMT2AHIF1ATDP1LMNA
SCHEMBL8366844 0.86 RAB9A (0.76) MEN1KMT2AHIF1ATDP1LMNA
SCHEMBL13186949 0.86 HIF1A (0.67) MEN1KMT2AHIF1ATDP1LMNA
SCHEMBL11746981 0.86 MEN1 (0.77) MEN1KMT2AHIF1ATDP1LMNA
SCHEMBL10353548 0.85 KMT2A (0.71) MEN1KMT2AHIF1ATDP1LMNA
SCHEMBL10353116 0.85 KMT2A (0.76) MEN1KMT2AHIF1ATDP1LMNA

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
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 US disclosed
WO-2010132810-A1 DEUTERIUM MODIFIED BENZIMIDAZOLES CONCERT PHARMACEUTICALS, INC. (US) 2010-11-18 WO disclosed
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
WO-2010118286-A2 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
WO-2010118286-A2 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
WO-2010107739-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-4563455-A Antiulcer fused imidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 US disclosed
EP-0125756-A2 Fused imidazole compounds, processes for the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-11-21 EP 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-20120058085-A1 Deuterium Modified Benzimidazoles POLRMT, EIF2AK2, DUT MEN1 4528/4885KMT2A 1259/4885HIF1A 573/4885
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN HRH4, H1-4, HRH3 MEN1 4539/4885KMT2A 278/4885HIF1A 2644/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 MEN1 4872/4885KMT2A 2299/4885HIF1A 2701/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 MEN1 4880/4885KMT2A 2858/4885HIF1A 1947/4885

“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.