SCHEMBL2645378

SCHEMBL2645378

O=C(O)c1nc2cccnc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.56
CYP2C9 P11712 1/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 5/20 0.41
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
STAT1 P42224 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30943923 1.00 PDK1 (0.56) PDK1CYP2C9POLBNPC1ALDH1A1
SCHEMBL5797987 0.84 PDK1 (0.54) PDK1CYP2C9POLBNPC1ALDH1A1
SCHEMBL24960020 0.80 ALDH1A1 (0.60) PDK1CYP2C9POLBNPC1ALDH1A1
SCHEMBL9537013 0.78 MEN1 (0.46) PDK1POLBNPC1ALDH1A1KDM4E
SCHEMBL5138748 0.77 PDK1 (0.58) PDK1POLBNPC1ALDH1A1RAB9A
SCHEMBL16264455 0.77 CYP2C9 (0.58) PDK1CYP2C9POLBNPC1ALDH1A1
SCHEMBL9211341 0.74 PDK1 (0.59) PDK1POLBALDH1A1KDM4EMAPT
SCHEMBL31229583 0.74 MAPT (0.35) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL2176039 0.73 PDK1 (0.58) PDK1POLBNPC1ALDH1A1RAB9A
SCHEMBL29390917 0.73 PDK1 (0.58) PDK1POLBNPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111388443-B Cellulose empty capsule and capsule thereof 上海祺宇生物科技有限公司 2021-12-31 CN claimed
CN-111388443-A Cellulose empty capsule and capsule thereof 上海祺宇生物科技有限公司 2020-07-10 CN claimed
CN-115885033-A Bacterial strain belonging to the genus bacillus and microbial control agent using the same 国立大学法人东海国立大学机构 2023-03-31 CN disclosed
CN-115044025-A Polyester type high polymer material and preparation method and application thereof 中兴通讯股份有限公司 2022-09-13 CN disclosed
CN-110158199-B Preparation method of biomass fiber capable of shielding ultraviolet rays 闽江学院 2022-05-13 CN disclosed
CN-110158199-B Preparation method of biomass fiber capable of shielding ultraviolet rays 闽江学院 2022-05-13 CN disclosed
CN-111388443-B Cellulose empty capsule and capsule thereof 上海祺宇生物科技有限公司 2021-12-31 CN disclosed
CN-107987248-B Polyurethane capable of inducing luminescence and preparation method thereof 中国科学院深圳先进技术研究院 2020-11-03 CN disclosed
CN-111388443-A Cellulose empty capsule and capsule thereof 上海祺宇生物科技有限公司 2020-07-10 CN disclosed
CN-110158199-A Preparation method of biomass fiber capable of shielding ultraviolet rays 闽江学院 2019-08-23 CN disclosed
US-9682953-B2 Amide compounds, compositions and applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-06-20 US disclosed
US-9682953-B2 Amide compounds, compositions and applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-06-20 US disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
WO-2014190199-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-27 WO disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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 (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-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS FNTB, PGLS, EP300 PDK1 3308/4885CYP2C9 1792/4885POLB 863/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 PDK1 137/4885CYP2C9 3244/4885POLB 3730/4885

“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.